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

Systemtic Name: 3-[[2-methyl-3-(4-nitrophenyl)propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-methyl-3-(4-nitrophenyl)propanoyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-methyl-3-(4-nitrophenyl)-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-methyl-3-(4-nitrophenyl)propanoyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-methyl-3-(4-nitrophenyl)propanoyl]amino]-5-phenyl-2-thenoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18N2O5S/c1-13(11-14-7-9-16(10-8-14)23(27)28)20(24)22-17-12-18(29-19(17)21(25)26)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,22,24)(H,25,26)