(2R)-2-[3-(methylazaniumyl)propylazaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(methylazaniumyl)propylazaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(methylammonio)propylammonio]-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(methylammonio)propylammonio]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(methylazaniumyl)propylazaniumyl]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-[3-(methylammonio)propylammonio]-4-(2-methyl-5-nitro-anilino)butyrate Formula: C15H23N4O5+ MolecularWeight: 339.36692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O5/c1-10-4-5-11(19(23)24)8-12(10)18-14(20)9-13(15(21)22)17-7-3-6-16-2/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3,(H,18,20)(H,21,22)/p+1/t13-/m1/s1