[5-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methyl N-phenylcarbamate

Systemtic Name: [5-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methyl N-phenylcarbamate Openeye Name: [5-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid [5-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methyl ester IUPAC Name: [5-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [5-(3-nitrophenyl)-2-phenyl-2-pyrazolin-3-yl]methyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)COC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C(N(N=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)COC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4/c28-23(24-18-9-3-1-4-10-18)31-16-21-15-22(17-8-7-13-20(14-17)27(29)30)25-26(21)19-11-5-2-6-12-19/h1-14,21H,15-16H2,(H,24,28)