4-[[3-[(4-nitrophenyl)carbamoyl]thiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(4-nitrophenyl)carbamoyl]thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(4-nitrophenyl)carbamoyl]-2-thienyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(4-nitroanilino)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(4-nitrophenyl)carbamoyl]thiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(4-nitrophenyl)carbamoyl]-2-thienyl]amino]butyrate Formula: C15H12N3O6S- MolecularWeight: 362.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(SC=C2)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(SC=C2)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6S/c19-12(5-6-13(20)21)17-15-11(7-8-25-15)14(22)16-9-1-3-10(4-2-9)18(23)24/h1-4,7-8H,5-6H2,(H,16,22)(H,17,19)(H,20,21)/p-1