5-azanyl-2-[(1-bromanylcyclohexa-2,4-dien-1-yl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(1-bromanylcyclohexa-2,4-dien-1-yl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(1-bromo-1-cyclohexa-2,4-dienyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[(1-bromocyclohexa-2,4-dien-1-yl)methyl]-3-pyrazolin-3-one Formula: C10H12BrN3O MolecularWeight: 270.12578

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1(CN2C(=O)C=C(N2)N)Br

Isomeric SMILES

C1C=CC=CC1(CN2C(=O)C=C(N2)N)Br

InChI

InChI=1S/C10H12BrN3O/c11-10(4-2-1-3-5-10)7-14-9(15)6-8(12)13-14/h1-4,6,13H,5,7,12H2