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

Systemtic Name: 3-[5-methyl-3-oxidanylidene-4-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC#N)C=C2C=CC(=O)C=C2O

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC#N)/C=C/2\C=CC(=O)C=C2O

InChI

InChI=1S/C14H13N3O3/c1-9-12(14(20)17(16-9)6-2-5-15)7-10-3-4-11(18)8-13(10)19/h3-4,7-8,16,19H,2,6H2,1H3/b10-7+