3-[methyl-(4-methylphenyl)carbonyl-amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[methyl-(4-methylphenyl)carbonyl-amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[methyl-(4-methylbenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[methyl-[(4-methylphenyl)-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[methyl-(4-methylbenzoyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[methyl(p-toluoyl)amino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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