4-[3-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[3-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[3-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[3-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[3-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[3-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-3-pyrazolin-3-one Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCCC2=CNNC2=O)C=C1Br

Isomeric SMILES

C1=CC(=O)C(=CNCCCC2=CNNC2=O)C=C1Br

InChI

InChI=1S/C13H14BrN3O2/c14-11-3-4-12(18)10(6-11)7-15-5-1-2-9-8-16-17-13(9)19/h3-4,6-8,15H,1-2,5H2,(H2,16,17,19)