5-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-[(2-hydroxy-1-methyl-4-oxo-3-quinolyl)sulfanyl]-2-nitro-benzoic acid CAS Name: 5-[(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(2-hydroxy-4-keto-1-methyl-3-quinolyl)thio]-2-nitro-benzoic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)SC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)SC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N2O6S/c1-18-12-5-3-2-4-10(12)14(20)15(16(18)21)26-9-6-7-13(19(24)25)11(8-9)17(22)23/h2-8,21H,1H3,(H,22,23)