54783241 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 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 1 1 2 2 3 3 4 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 16 16 16 17 17 18 18 19 20 21 22 22 23 25 25 25 26 26 26 8 9 19 25 20 26 15 24 7 15 41 21 42 10 13 11 27 28 14 15 16 29 30 17 18 21 22 31 23 32 35 36 37 19 33 20 34 24 24 38 23 39 40 43 44 45 46 47 48 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 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 47 48 8.0622 2.866 6.3301 7.1962 4.5981 5.4641 5.4641 7.1962 8.9282 6.3301 9.7942 4.5981 7.1962 5.4641 6.3301 10.6603 3.732 5.4641 3.732 5.4641 4.5981 6.3301 5.4641 4.5981 2 7.1962 9.3267 8.5297 9.3957 10.1928 7.7331 4.9272 3.1951 6.001 10.9703 11.1972 10.3503 4.0611 6.3301 4.9272 4.9272 6.001 2.31 1.4631 1.69 7.5062 7.7331 6.8862 2.5 -3.5 -3.5 1 -4.5 1 0 3 3 2.5 2.5 -1.5 4 3 1.5 3 -2 -2 -3 -3 -0.5 4.5 4 -3.5 -3 -3 3.475 3.475 2.025 2.025 4.31 2.69 -1.69 -1.69 2.4631 3.31 3.5369 -0.19 5.12 4.31 1.31 -0.31 -2.4631 -2.69 -3.5369 -3.5369 -2.69 -2.4631 8 8 8 8 8 8 8 8 10 13 14 22 10 13 14 22 23 23 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 583 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 N'-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-propoxy-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-propoxybenzohydrazide 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-propoxybenzohydrazide 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-propoxybenzohydrazide 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-propoxy-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-propoxy-benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H22N2O5/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/h5-8,10-12,20H,4,9H2,1-3H3,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DLQVUKCBRDHIDJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.15287181 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H22N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1=CC=CC=C1C(=O)NNC=C2C=C(C(=O)C(=C2)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1=CC=CC=C1C(=O)NNC=C2C=C(C(=O)C(=C2)OC)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 2021.05.07 358.15287181 26 0 0 0 0 0 0 0 1 -1