2-(2-cyanoethanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-4-(4-nitrophenyl)thiophene-3-carboxylic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-4-(4-nitrophenyl)thiophene-3-carboxylic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-4-(4-nitrophenyl)-3-thenoic acid Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5S/c15-6-5-11(18)16-13-12(14(19)20)10(7-23-13)8-1-3-9(4-2-8)17(21)22/h1-4,7H,5H2,(H,16,18)(H,19,20)