(6E)-6-[2-(4-bromophenyl)-1H-pyrazol-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-(4-bromophenyl)-1H-pyrazol-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-(4-bromophenyl)-1H-pyrazol-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-(4-bromophenyl)-1H-pyrazol-3-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-(4-bromophenyl)-1H-pyrazol-3-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-(4-bromophenyl)-3-pyrazolin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C=CNN2C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

COC1=CC(=O)/C(=C/2\C=CNN2C3=CC=C(C=C3)Br)/C=C1

InChI

InChI=1S/C16H13BrN2O2/c1-21-13-6-7-14(16(20)10-13)15-8-9-18-19(15)12-4-2-11(17)3-5-12/h2-10,18H,1H3/b15-14+