4-(4-methylphenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-(p-tolyl)-3-thenoic acid Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H14N2O6S/c1-10-2-4-11(5-3-10)14-9-28-18(16(14)19(24)25)20-17(23)13-8-12(21(26)27)6-7-15(13)22/h2-9,22H,1H3,(H,20,23)(H,24,25)