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

Systemtic Name: 2,3-bis(azanyl)-5-[5-methyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]benzoic acid Openeye Name: 2,3-diamino-5-[5-methyl-3-oxo-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]benzoic acid CAS Name: 2,3-diamino-5-[5-methyl-3-oxo-4-(2-pyridinylmethyl)-1-cyclohexa-1,5-dienyl]benzoic acid IUPAC Name: 2,3-diamino-5-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]benzoic acid Traditional Name: 2,3-diamino-5-[3-keto-5-methyl-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]benzoic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-11-6-12(13-7-16(20(25)26)19(22)17(21)8-13)9-18(24)15(11)10-14-4-2-3-5-23-14/h2-9,15H,10,21-22H2,1H3,(H,25,26)