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

Systemtic Name: 4,5-dimethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4,5-dimethyl-3-thenoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C14H12N2O6S/c1-6-7(2)23-13(11(6)14(19)20)15-12(18)9-5-8(16(21)22)3-4-10(9)17/h3-5,17H,1-2H3,(H,15,18)(H,19,20)