5-[(8-methyl-6-nitro-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(8-methyl-6-nitro-7-oxidanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(7-hydroxy-8-methyl-6-nitro-2-oxo-chromene-3-carbonyl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[(7-hydroxy-8-methyl-6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(7-hydroxy-8-methyl-6-nitro-2-oxochromene-3-carbonyl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(7-hydroxy-2-keto-8-methyl-6-nitro-chromene-3-carbonyl)amino]benzoic acid Formula: C18H12N2O9 MolecularWeight: 400.29588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H12N2O9/c1-7-14(22)12(20(27)28)5-8-4-11(18(26)29-15(7)8)16(23)19-9-2-3-13(21)10(6-9)17(24)25/h2-6,21-22H,1H3,(H,19,23)(H,24,25)