ethanol; ethyl 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethanol; ethyl 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethanol; ethyl 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester; ethanol Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCO.CCO.CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H23N3O4.2C2H6O/c1-5-29-21(26)20-14-19(15-6-8-16(9-7-15)22(2,3)4)23-24(20)17-10-12-18(13-11-17)25(27)28;2*1-2-3/h6-14H,5H2,1-4H3;2*3H,2H2,1H3