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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O6/c1-26-17-10-15(16(22(24)25)11-18(17)27-2)19(23)28-12-13-4-6-14(7-5-13)21-9-3-8-20-21/h3-11H,12H2,1-2H3