4-bromanyl-6-[(5R)-5-(4-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[(5R)-5-(4-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[(5R)-5-(p-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[(5R)-5-(4-methylphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[(5R)-5-(4-methylphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[(5R)-5-(p-tolyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=C3C=C(C=CC3=O)Br)NN2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=C3C=C(C=CC3=O)Br)NN2

InChI

InChI=1S/C16H15BrN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-8,14,18-19H,9H2,1H3/t14-/m1/s1