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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN(C)C3=CC=CC=C3C(=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CN(C)C3=CC=CC=C3C(=O)[O-])C(=N2)C)C

InChI

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