45109265 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 8 8 8 9 9 9 10 11 12 13 13 14 15 17 17 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 28 28 28 29 29 29 10 22 11 28 15 29 12 16 7 14 35 16 36 11 12 14 10 16 17 19 13 18 15 30 31 18 20 32 33 21 34 21 37 38 23 24 25 39 26 40 27 41 27 42 43 44 45 46 47 48 49 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 8 11 12 14 31 6 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8.0622 2.866 4.5981 6.3301 7.1962 5.4641 5.4641 4.5981 6.3301 7.1962 3.732 5.4641 3.732 4.5981 4.5981 6.3301 5.4641 5.4641 7.1962 5.4641 6.3301 8.9282 9.7942 8.9282 10.6603 9.7942 10.6603 2 5.4641 3.1951 4.0611 4.9272 6.001 7.7331 6.001 4.9272 4.9272 6.3301 9.7942 8.3913 11.1972 9.7942 11.1972 1.69 1.4631 2.31 5.1541 6.001 5.7741 2.75 -1.25 -4.25 -1.25 1.25 0.25 1.25 -1.25 2.75 3.25 -1.75 -1.75 -2.75 -0.25 -3.25 1.75 3.25 -2.75 4.25 4.25 4.75 3.25 2.75 4.25 3.25 4.75 4.25 -1.75 -4.75 -3.06 0.06 2.94 -3.06 4.56 -0.06 1.56 4.56 5.37 2.13 4.56 2.94 5.37 4.56 -1.2131 -2.06 -2.2869 -5.2869 -5.06 -4.2131 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 17 19 20 22 22 23 24 25 26 10 17 19 20 21 21 23 24 25 26 27 27 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 691 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306080000000000000014000001E00180000000C04C198063206806204008802A15650008208002420021AA881060CC80C263684B51B823960E6E01108A9C798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(2,4-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-phenoxy-benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(2,4-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-phenoxybenzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[(<I>Z</I>)-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenoxybenzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenoxybenzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(2,4-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-phenoxy-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(Z)-(6-keto-2,4-dimethoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-2-phenoxy-benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H20N2O5/c1-27-16-12-19(25)18(21(13-16)28-2)14-23-24-22(26)17-10-6-7-11-20(17)29-15-8-4-3-5-9-15/h3-14,23H,1-2H3,(H,24,26)/b18-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IQFINXQPICXDLN-NBVRZTHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.13722174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H20N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=O)C(=CNNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)C(=C1)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=O)/C(=C\NNC(=O)C2=CC=CC=C2OC3=CC=CC=C3)/C(=C1)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 85.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.13722174 29 0 0 0 1 1 0 0 1 -1