2-[[2-cyanoethyl(phenyl)carbamoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyanoethyl(phenyl)carbamoyl]amino]ethanoic acid Openeye Name: 2-[[2-cyanoethyl(phenyl)carbamoyl]amino]acetic acid CAS Name: 2-[[[N-(2-cyanoethyl)anilino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-cyanoethyl(phenyl)carbamoyl]amino]acetic acid Traditional Name: 2-[[2-cyanoethyl(phenyl)carbamoyl]amino]acetic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c13-7-4-8-15(10-5-2-1-3-6-10)12(18)14-9-11(16)17/h1-3,5-6H,4,8-9H2,(H,14,18)(H,16,17)