(2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-keto-2-(propylammonio)butyrate Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-3-7-16-12(15(20)21)9-14(19)17-11-6-5-10(24-4-2)8-13(11)18(22)23/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1