O3-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] O1-methyl propanedioate

Systemtic Name: O3-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] O1-methyl propanedioate Openeye Name: O3-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] O1-methyl propanedioate CAS Name: propanedioic acid O3-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl] ester O1-methyl ester IUPAC Name: 3-O-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] 1-O-methyl propanedioate Traditional Name: malonic acid O3-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] ester O1-methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CC(=O)OC)C)NC2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CC(=O)OC)C)NC2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14-11-16(12-15(2)21(14)28-20(26)13-19(25)27-3)22-18-9-10-24(23-18)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,22,23)