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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-2-19(24)22(13-14-8-10-16(11-9-14)23(27)28)17-12-18(29-20(17)21(25)26)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,25,26)