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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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