4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoic acid

Systemtic Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoic acid Openeye Name: 4-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methylamino]butanoic acid CAS Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]butanoic acid IUPAC Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]butanoic acid Traditional Name: 4-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methylamino]butyric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNCCCC(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNCCCC(=O)O)C(=N2)C

InChI

InChI=1S/C16H19N3O3/c1-11-5-7-13(8-6-11)19-16(22)14(12(2)18-19)10-17-9-3-4-15(20)21/h5-8,10,17H,3-4,9H2,1-2H3,(H,20,21)