methyl 2,3-bis(azanyl)-5-[5-methyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]benzoate

Systemtic Name: methyl 2,3-bis(azanyl)-5-[5-methyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]benzoate Openeye Name: methyl 2,3-diamino-5-[5-methyl-3-oxo-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]benzoate CAS Name: 2,3-diamino-5-[5-methyl-3-oxo-4-(2-pyridinylmethyl)-1-cyclohexa-1,5-dienyl]benzoic acid methyl ester IUPAC Name: methyl 2,3-diamino-5-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]benzoate Traditional Name: 2,3-diamino-5-[3-keto-5-methyl-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)C1CC2=CC=CC=N2)C3=CC(=C(C(=C3)N)N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=O)C1CC2=CC=CC=N2)C3=CC(=C(C(=C3)N)N)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-12-7-13(10-19(25)16(12)11-15-5-3-4-6-24-15)14-8-17(21(26)27-2)20(23)18(22)9-14/h3-10,16H,11,22-23H2,1-2H3