ethyl 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

InChI

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