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

Systemtic Name: cyanomethyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoate Openeye Name: cyanomethyl 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetic acid cyanomethyl ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O4/c20-10-11-27-18(24)12-15-13-22(16-4-2-1-3-5-16)21-19(15)14-6-8-17(9-7-14)23(25)26/h1-9,13H,11-12H2