4,5-dimethyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[(4-nitrobenzoyl)amino]-3-thenoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c1-7-8(2)22-13(11(7)14(18)19)15-12(17)9-3-5-10(6-4-9)16(20)21/h3-6H,1-2H3,(H,15,17)(H,18,19)