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

Systemtic Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-acetamidoethylammonio)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-acetamidoethylammonio)-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-acetamidoethylazaniumyl)-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-acetamidoethylammonio)-4-keto-4-(4-nitroanilino)butyrate Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O6/c1-9(19)15-6-7-16-12(14(21)22)8-13(20)17-10-2-4-11(5-3-10)18(23)24/h2-5,12,16H,6-8H2,1H3,(H,15,19)(H,17,20)(H,21,22)/t12-/m1/s1