[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 2-methylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 2-methylbenzoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H19N3O4/c1-13(2)18-12-19(27-20(24)17-7-5-4-6-14(17)3)22(21-18)15-8-10-16(11-9-15)23(25)26/h4-13H,1-3H3