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

Systemtic Name: (2R)-2-[2-(dimethylazaniumyl)ethylazaniumyl]-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(dimethylazaniumyl)ethylazaniumyl]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C16H25N4O6+ MolecularWeight: 369.3929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O6/c1-4-26-11-5-6-12(14(9-11)20(24)25)18-15(21)10-13(16(22)23)17-7-8-19(2)3/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,18,21)(H,22,23)/p+1/t13-/m1/s1