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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(4-methyl-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-keto-4-(4-methyl-2-nitro-anilino)butyrate Formula: C13H19N4O5+ MolecularWeight: 311.31376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5/c1-8-2-3-9(11(6-8)17(21)22)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