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

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4-dimethoxybenzoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OC(=O)C2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN(C(=C1)OC(=O)C2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13(2)18-12-20(23(22-18)14-5-7-15(8-6-14)24(26)27)30-21(25)17-10-9-16(28-3)11-19(17)29-4/h5-13H,1-4H3