(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C13H19N4O5+ MolecularWeight: 311.31376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5/c14-5-2-6-15-11(13(19)20)8-12(18)16-9-3-1-4-10(7-9)17(21)22/h1,3-4,7,11,15H,2,5-6,8,14H2,(H,16,18)(H,19,20)/p+1/t11-/m1/s1