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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-keto-4-(2-methoxy-4-nitro-anilino)butyrate Formula: C13H19N4O6+ MolecularWeight: 327.31316

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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+]CC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O6/c1-23-11-6-8(17(21)22)2-3-9(11)16-12(18)7-10(13(19)20)15-5-4-14/h2-3,6,10,15H,4-5,7,14H2,1H3,(H,16,18)(H,19,20)/p+1/t10-/m1/s1