(6E)-4-bromanyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one; ethanoic acid

Systemtic Name: (6E)-4-bromanyl-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one; ethanoic acid Openeye Name: acetic acid; (6E)-4-bromo-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: acetic acid; (6E)-4-bromo-6-(2-phenyl-1H-pyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: acetic acid; (6E)-4-bromo-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: acetic acid; (6E)-4-bromo-6-(2-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)N2C(=C3C=C(C=CC3=O)Br)C=CN2

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)N2/C(=C/3\C=C(C=CC3=O)Br)/C=CN2

InChI

InChI=1S/C15H11BrN2O.C2H4O2/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12;1-2(3)4/h1-10,17H;1H3,(H,3,4)/b14-13+;