(4-pyrazol-1-ylphenyl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C24H17ClN4O5 MolecularWeight: 476.86858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H17ClN4O5/c25-21-14-18(29(32)33)10-11-19(21)23(30)27-22-5-2-1-4-20(22)24(31)34-15-16-6-8-17(9-7-16)28-13-3-12-26-28/h1-14H,15H2,(H,27,30)