4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-thienyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-thiophenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[5-(2-nitrophenyl)-2-thienyl]acryloyl]amino]benzoic acid Formula: C21H13N3O5S MolecularWeight: 419.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(S2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(S2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O5S/c22-12-14(20(25)23-15-7-5-13(6-8-15)21(26)27)11-16-9-10-19(30-16)17-3-1-2-4-18(17)24(28)29/h1-11H,(H,23,25)(H,26,27)/b14-11+