(4-pyrazol-1-ylphenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5/c1-26-22-12-9-18(15-23(22)29(32)33)24(30)20-5-2-3-6-21(20)25(31)34-16-17-7-10-19(11-8-17)28-14-4-13-27-28/h2-15,26H,16H2,1H3