ethyl 3-(2-nitrophenyl)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2-nitrophenyl)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-isopropylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylate CAS Name: 3-(2-nitrophenyl)-1-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-nitrophenyl)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(2-nitrophenyl)-1-p-cumenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21N3O4/c1-4-28-21(25)18-13-23(16-11-9-15(10-12-16)14(2)3)22-20(18)17-7-5-6-8-19(17)24(26)27/h5-14H,4H2,1-3H3