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

Systemtic Name: (4-cyanophenyl)methyl 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O4/c27-16-19-9-11-20(12-10-19)18-34-25(31)14-13-22-17-29(23-6-2-1-3-7-23)28-26(22)21-5-4-8-24(15-21)30(32)33/h1-15,17H,18H2