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

Systemtic Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(diethylammonio)propylammonio]-4-keto-4-(3-nitroanilino)butyrate Formula: C17H27N4O5+ MolecularWeight: 367.42008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5/c1-3-20(4-2)10-6-9-18-15(17(23)24)12-16(22)19-13-7-5-8-14(11-13)21(25)26/h5,7-8,11,15,18H,3-4,6,9-10,12H2,1-2H3,(H,19,22)(H,23,24)/p+1/t15-/m1/s1