2-[3-(dimethylamino)propylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[3-(dimethylamino)propylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[3-(dimethylamino)propylamino]-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[3-(dimethylamino)propylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[3-(dimethylamino)propylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[3-(dimethylamino)propylamino]-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C16H24N4O5 MolecularWeight: 352.38556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5/c1-11-5-6-12(14(9-11)20(24)25)18-15(21)10-13(16(22)23)17-7-4-8-19(2)3/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,18,21)(H,22,23)