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

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C27H25N3O8S MolecularWeight: 551.5677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCC

InChI

InChI=1S/C27H25N3O8S/c1-4-36-23-16-11-19(17-24(23)37-5-2)27(31)38-26-25(18(3)28-29(26)20-9-7-6-8-10-20)39(34,35)22-14-12-21(13-15-22)30(32)33/h6-17H,4-5H2,1-3H3