4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid

Systemtic Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Openeye Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid CAS Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Traditional Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-3-thenoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H14N2O5S/c1-9-10(2)24-15(14(9)16(20)21)17-13(19)8-5-11-3-6-12(7-4-11)18(22)23/h3-8H,1-2H3,(H,17,19)(H,20,21)/b8-5+