methyl 3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]benzoate Openeye Name: methyl 3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]benzoate CAS Name: 3-nitro-4-[[4-(1-pyrazolyl)phenyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(4-pyrazol-1-ylphenyl)methoxy]benzoate Traditional Name: 3-nitro-4-(4-pyrazol-1-ylbenzyl)oxy-benzoic acid methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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