54783236 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 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 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 11 12 12 13 14 15 18 18 19 19 20 20 21 22 22 22 23 23 23 24 24 24 25 25 26 26 10 22 13 23 14 24 16 17 7 15 32 17 33 11 12 15 10 17 18 19 13 27 14 28 16 16 29 20 30 21 31 21 34 35 25 36 37 38 39 40 41 42 43 26 44 45 46 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 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 8.0622 2.866 6.3301 4.5981 7.1962 5.4641 5.4641 4.5981 6.3301 7.1962 3.732 5.4641 3.732 5.4641 4.5981 4.5981 6.3301 5.4641 7.1962 5.4641 6.3301 8.9282 2 7.1962 9.7942 10.6603 3.1951 6.001 4.0611 4.9272 7.7331 6.001 4.9272 4.9272 6.3301 9.3267 8.5297 2.31 1.4631 1.69 7.5062 7.7331 6.8862 9.7942 11.1972 10.6603 2.5 -3.5 -3.5 -4.5 1 0 1 -1.5 2.5 3 -2 -2 -3 -3 -0.5 -3.5 1.5 3 4 4 4.5 3 -3 -3 2.5 3 -1.69 -1.69 -0.19 2.69 4.31 -0.31 1.31 4.31 5.12 3.475 3.475 -2.4631 -2.69 -3.5369 -3.5369 -2.69 -2.4631 1.88 2.69 3.62 8 8 8 8 8 8 9 9 10 18 19 20 10 18 19 20 21 21 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 610 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000304000000000000000010000001E00180000000C04E198063206806204008802A15650028208002420021AA881460CC80C263684B51F823960E7E01108A98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-allyloxy-N'-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-prop-2-enoxybenzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-prop-2-enoxybenzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-prop-2-enoxybenzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-prop-2-enoxy-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-allyloxy-N'-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20N2O5/c1-4-9-26-15-8-6-5-7-14(15)19(23)21-20-12-13-10-16(24-2)18(22)17(11-13)25-3/h4-8,10-12,20H,1,9H2,2-3H3,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OICORPKMFAPLTN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.13722174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CNNC(=O)C2=CC=CC=C2OCC=C)C=C(C1=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CNNC(=O)C2=CC=CC=C2OCC=C)C=C(C1=O)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 2021.05.07 356.13722174 26 0 0 0 0 0 0 0 1 -1