3-[4-[(E)-(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-(2-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[(E)-(2-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[(E)-(2-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[(E)-(2-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[(E)-(2-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C15H14BrN3O3 MolecularWeight: 364.19396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC#N)C=C2C=C(C(=O)C=C2Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC#N)/C=C/2\C=C(C(=O)C=C2Br)OC

InChI

InChI=1S/C15H14BrN3O3/c1-9-11(15(21)19(18-9)5-3-4-17)6-10-7-14(22-2)13(20)8-12(10)16/h6-8,18H,3,5H2,1-2H3/b10-6+