3-[methyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[methyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[methyl-(4-methyl-3-nitro-benzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[methyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[methyl-(4-methyl-3-nitrobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[methyl-(4-methyl-3-nitro-benzoyl)amino]-5-phenyl-2-thenoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-12-8-9-14(10-15(12)22(26)27)19(23)21(2)16-11-17(28-18(16)20(24)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,25)