(E)-4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[N-(2-cyanoethyl)anilino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-keto-but-2-enoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H13N3O4/c15-9-4-10-17(11-5-2-1-3-6-11)14(21)16-12(18)7-8-13(19)20/h1-3,5-8H,4,10H2,(H,19,20)(H,16,18,21)/b8-7+