(4-pyrazol-1-ylphenyl)methyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-chloranyl-2-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O4/c18-13-4-7-16(21(23)24)15(10-13)17(22)25-11-12-2-5-14(6-3-12)20-9-1-8-19-20/h1-10H,11H2