(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-(propylammonio)butyrate Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-6-14-11(13(18)19)8-12(17)15-9-4-3-5-10(7-9)16(20)21/h3-5,7,11,14H,2,6,8H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1