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

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-[3-(methylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-[3-(methylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-[3-(methylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-keto-2-[3-(methylammonio)propylammonio]butyrate Formula: C16H25N4O6+ MolecularWeight: 369.3929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O6/c1-3-26-11-5-6-12(14(9-11)20(24)25)19-15(21)10-13(16(22)23)18-8-4-7-17-2/h5-6,9,13,17-18H,3-4,7-8,10H2,1-2H3,(H,19,21)(H,22,23)/p+1/t13-/m1/s1