(2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: (5-isopropyl-2-methyl-phenyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-4-pyrazolecarboxylic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C23H22N4O4/c1-15(2)18-6-5-16(3)21(13-18)31-23(28)20-14-26(12-4-11-24)25-22(20)17-7-9-19(10-8-17)27(29)30/h5-10,13-15H,4,12H2,1-3H3