(2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C19H31N4O6+ MolecularWeight: 411.47264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O6/c1-4-22(5-2)11-7-10-20-16(19(25)26)13-18(24)21-15-9-8-14(29-6-3)12-17(15)23(27)28/h8-9,12,16,20H,4-7,10-11,13H2,1-3H3,(H,21,24)(H,25,26)/p+1/t16-/m1/s1