(6E)-2-bromanyl-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-propan-2-yloxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-bromanyl-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-propan-2-yloxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-bromo-3-isopropoxy-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-bromo-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-propan-2-yloxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-bromo-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-propan-2-yloxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-bromo-3-isopropoxy-6-(4-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C(=C2C(=CNN2)C3=CC=CC=C3)C=C1)Br

Isomeric SMILES

CC(C)OC1=C(C(=O)/C(=C/2\C(=CNN2)C3=CC=CC=C3)/C=C1)Br

InChI

InChI=1S/C18H17BrN2O2/c1-11(2)23-15-9-8-13(18(22)16(15)19)17-14(10-20-21-17)12-6-4-3-5-7-12/h3-11,20-21H,1-2H3/b17-13+