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

Systemtic Name: 3-[3-methylbutanoyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[3-methylbutanoyl-[(4-nitrophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-methyl-1-oxobutyl)-[(4-nitrophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[3-methylbutanoyl-[(4-nitrophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isovaleryl-(4-nitrobenzyl)amino]-5-phenyl-2-thenoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-15(2)12-21(26)24(14-16-8-10-18(11-9-16)25(29)30)19-13-20(31-22(19)23(27)28)17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,27,28)