4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxo-butanoate CAS Name: 4-[[[N-(2-cyanoethyl)anilino]-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-cyanoethyl(phenyl)carbamoyl]amino]-4-keto-butyrate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H15N3O4/c15-9-4-10-17(11-5-2-1-3-6-11)14(21)16-12(18)7-8-13(19)20/h1-3,5-6H,4,7-8,10H2,(H,19,20)(H,16,18,21)/p-1