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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-methyl-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(4-methyl-2-nitro-anilino)butyrate Formula: C14H21N4O5+ MolecularWeight: 325.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O5/c1-9-3-4-10(12(7-9)18(22)23)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