(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(2-methoxy-4-nitro-anilino)butyrate Formula: C14H21N4O6+ MolecularWeight: 341.33974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C14H20N4O6/c1-24-12-7-9(18(22)23)3-4-10(12)17-13(19)8-11(14(20)21)16-6-2-5-15/h3-4,7,11,16H,2,5-6,8,15H2,1H3,(H,17,19)(H,20,21)/p+1/t11-/m1/s1