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

Systemtic Name: 3-[(4-methylphenyl)carbonyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylbenzoyl)-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]-[(4-nitrophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-[(4-nitrophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4-nitrobenzyl)-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H20N2O5S/c1-17-7-11-20(12-8-17)25(29)27(16-18-9-13-21(14-10-18)28(32)33)22-15-23(34-24(22)26(30)31)19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,30,31)