3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: 3-amino-4-(benzylamino)-4-oxo-butanoate CAS Name: 3-amino-4-oxo-4-[(phenylmethyl)amino]butanoate IUPAC Name: 3-amino-4-(benzylamino)-4-oxobutanoate Traditional Name: 3-amino-4-(benzylamino)-4-keto-butyrate Formula: C11H13N2O3- MolecularWeight: 221.23252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CC(=O)[O-])N

InChI

InChI=1S/C11H14N2O3/c12-9(6-10(14)15)11(16)13-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/p-1