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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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