[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C22H23N3O4/c1-14-10-11-17(12-15(14)2)22(28)29-13-19(26)23-20-16(3)24(4)25(21(20)27)18-8-6-5-7-9-18/h5-12H,13H2,1-4H3,(H,23,26)