3-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoate

Systemtic Name: 3-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoate Openeye Name: 3-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]-4-methyl-benzoate CAS Name: 3-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-4-methylbenzoate IUPAC Name: 3-[[(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-4-methylbenzoate Traditional Name: 3-[[(Z)-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]-4-methyl-benzoate Formula: C21H20N3O3- MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)C(=O)[O-])C)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)/C(=C\NC3=C(C=CC(=C3)C(=O)[O-])C)/C(=N2)C)C

InChI

InChI=1S/C21H21N3O3/c1-12-5-8-19(14(3)9-12)24-20(25)17(15(4)23-24)11-22-18-10-16(21(26)27)7-6-13(18)2/h5-11,22H,1-4H3,(H,26,27)/p-1/b17-11-