(4-cyanophenyl)methyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid (4-cyanobenzyl) ester Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H18N4O4/c26-15-18-6-8-19(9-7-18)17-33-24(30)14-21-16-28(22-4-2-1-3-5-22)27-25(21)20-10-12-23(13-11-20)29(31)32/h1-13,16H,14,17H2