[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C29H29N3O9S MolecularWeight: 595.62026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H29N3O9S/c1-5-38-24-17-20(18-25(39-6-2)26(24)40-7-3)29(33)41-28-27(19(4)30-31(28)21-11-9-8-10-12-21)42(36,37)23-15-13-22(14-16-23)32(34)35/h8-18H,5-7H2,1-4H3