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

Systemtic Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-methyl-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-keto-4-(4-methyl-2-nitro-anilino)butyrate Formula: C17H27N4O5+ MolecularWeight: 367.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5/c1-4-20(5-2)9-8-18-14(17(23)24)11-16(22)19-13-7-6-12(3)10-15(13)21(25)26/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3,(H,19,22)(H,23,24)/p+1/t14-/m1/s1