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

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(isopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-(3-methylbutylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-(3-methylbutylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(isoamylammonio)-4-keto-butyrate Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-4-26-12-5-6-13(15(9-12)20(24)25)19-16(21)10-14(17(22)23)18-8-7-11(2)3/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3,(H,19,21)(H,22,23)/t14-/m1/s1