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

Systemtic Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-keto-4-(3-nitroanilino)butyrate Formula: C16H25N4O5+ MolecularWeight: 353.3935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5/c1-3-19(4-2)9-8-17-14(16(22)23)11-15(21)18-12-6-5-7-13(10-12)20(24)25/h5-7,10,14,17H,3-4,8-9,11H2,1-2H3,(H,18,21)(H,22,23)/p+1/t14-/m1/s1