2-[(2S)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]propylidene]azaniumylethanoate

Systemtic Name: 2-[(2S)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]propylidene]azaniumylethanoate Openeye Name: 2-[(2S)-3-(benzylamino)-2-cyano-3-oxo-propylidene]ammonioacetate CAS Name: 2-[(2S)-2-cyano-3-oxo-3-[(phenylmethyl)amino]propylidene]ammonioacetate IUPAC Name: 2-[(2S)-3-(benzylamino)-2-cyano-3-oxopropylidene]azaniumylacetate Traditional Name: 2-[(2S)-3-(benzylamino)-2-cyano-3-keto-propylidene]ammonioacetate Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@@H](/C=[NH+]/CC(=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/h1-5,8,11H,7,9H2,(H,16,19)(H,17,18)/b15-8+/t11-/m1/s1