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

Systemtic Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C18H29N4O6+ MolecularWeight: 397.44606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6/c1-4-21(5-2)10-9-19-15(18(24)25)12-17(23)20-14-8-7-13(28-6-3)11-16(14)22(26)27/h7-8,11,15,19H,4-6,9-10,12H2,1-3H3,(H,20,23)(H,24,25)/p+1/t15-/m1/s1