(1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl 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=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

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