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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-25-17-8-7-15(21(23)24)11-16(17)18(22)26-12-13-3-5-14(6-4-13)20-10-2-9-19-20/h2-11H,12H2,1H3