(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(2-cyanoanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(2-cyanoanilino)-4-keto-butyrate Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C(CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

Isomeric SMILES

C=CC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-2-7-16-12(14(19)20)8-13(18)17-11-6-4-3-5-10(11)9-15/h2-6,12,16H,1,7-8H2,(H,17,18)(H,19,20)/t12-/m1/s1