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

Systemtic Name: 2-azanyl-5-[5-methyl-3-oxidanylidene-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-3-nitro-benzoic acid Openeye Name: 2-amino-5-[5-methyl-3-oxo-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]-3-nitro-benzoic acid CAS Name: 2-amino-5-[5-methyl-3-oxo-4-(2-pyridinylmethyl)-1-cyclohexa-1,5-dienyl]-3-nitrobenzoic acid IUPAC Name: 2-amino-5-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-3-nitrobenzoic acid Traditional Name: 2-amino-5-[3-keto-5-methyl-4-(2-pyridylmethyl)cyclohexa-1,5-dien-1-yl]-3-nitro-benzoic acid Formula: C20H17N3O5 MolecularWeight: 379.36608

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+](=O)[O-])N)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=O)C1CC2=CC=CC=N2)C3=CC(=C(C(=C3)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C20H17N3O5/c1-11-6-12(9-18(24)15(11)10-14-4-2-3-5-22-14)13-7-16(20(25)26)19(21)17(8-13)23(27)28/h2-9,15H,10,21H2,1H3,(H,25,26)