4-bromanyl-2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-carbaldehyde

Systemtic Name: 4-bromanyl-2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-carbaldehyde Openeye Name: 4-bromo-2-[(4-methoxyphenyl)methyl]-1-oxido-pyrazol-1-ium-3-carbaldehyde CAS Name: 4-bromo-2-[(4-methoxyphenyl)methyl]-1-oxido-3-pyrazol-1-iumcarboxaldehyde IUPAC Name: 4-bromo-2-[(4-methoxyphenyl)methyl]-1-oxidopyrazol-1-ium-3-carbaldehyde Traditional Name: 4-bromo-1-oxido-2-p-anisyl-pyrazol-1-ium-3-carbaldehyde Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(C=[N+]2[O-])Br)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(C=[N+]2[O-])Br)C=O

InChI

InChI=1S/C12H11BrN2O3/c1-18-10-4-2-9(3-5-10)6-14-12(8-16)11(13)7-15(14)17/h2-5,7-8H,6H2,1H3