(4-pyrazol-1-ylphenyl)methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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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)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Br

InChI

InChI=1S/C18H15BrN2O3/c1-23-17-8-5-14(11-16(17)19)18(22)24-12-13-3-6-15(7-4-13)21-10-2-9-20-21/h2-11H,12H2,1H3