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

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic 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] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-13-9-10-17(25)16(11-13)21(28)29-12-18(26)22-19-14(2)23(3)24(20(19)27)15-7-5-4-6-8-15/h4-11,25H,12H2,1-3H3,(H,22,26)