(4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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