5-azanyl-4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2-dimethyl-pyrazol-3-one

Systemtic Name: 5-azanyl-4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2-dimethyl-pyrazol-3-one Openeye Name: 5-amino-4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2-dimethyl-pyrazol-3-one CAS Name: 5-amino-4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,2-dimethyl-3-pyrazolone IUPAC Name: 5-amino-4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,2-dimethylpyrazol-3-one Traditional Name: 5-amino-4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2-dimethyl-3-pyrazolin-3-one Formula: C12H13BrN4O2 MolecularWeight: 325.16122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)NC=C2C=C(C=CC2=O)Br)N

Isomeric SMILES

CN1C(=C(C(=O)N1C)NC=C2C=C(C=CC2=O)Br)N

InChI

InChI=1S/C12H13BrN4O2/c1-16-11(14)10(12(19)17(16)2)15-6-7-5-8(13)3-4-9(7)18/h3-6,15H,14H2,1-2H3