2-[[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]amino]ethanoic acid Openeye Name: 2-[[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]amino]acetic acid CAS Name: 2-[[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]amino]acetic acid IUPAC Name: 2-[[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid Traditional Name: 2-[[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]amino]acetic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CNCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=CNCC(=O)O)C#N

InChI

InChI=1S/C13H13N3O3/c14-6-11(8-15-9-12(17)18)13(19)16-7-10-4-2-1-3-5-10/h1-5,8,15H,7,9H2,(H,16,19)(H,17,18)