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

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C17H27N4O6+ MolecularWeight: 383.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O6/c1-4-27-12-6-7-13(15(10-12)21(25)26)19-16(22)11-14(17(23)24)18-8-5-9-20(2)3/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3,(H,19,22)(H,23,24)/p+1/t14-/m1/s1