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

Systemtic Name: 3-[cyclopropylcarbonyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cyclopropanecarbonyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]-[(4-nitrophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclopropanecarbonyl-[(4-nitrophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cyclopropanecarbonyl-(4-nitrobenzyl)amino]-5-phenyl-2-thenoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N2O5S/c25-21(16-8-9-16)23(13-14-6-10-17(11-7-14)24(28)29)18-12-19(30-20(18)22(26)27)15-4-2-1-3-5-15/h1-7,10-12,16H,8-9,13H2,(H,26,27)