4-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-methyl-4-(o-tolylazo)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-methyl-4-(2-methylphenyl)azoanilino]-4-oxobutanoic acid IUPAC Name: 4-[3-methyl-4-[(2-methylphenyl)diazenyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-methyl-4-(o-tolylazo)anilino]butyric acid Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C18H19N3O3/c1-12-5-3-4-6-15(12)20-21-16-8-7-14(11-13(16)2)19-17(22)9-10-18(23)24/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,23,24)