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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=C(C(=CC=C3)OC)O

InChI

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