4-[[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]-5-isocyano-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]-5-isocyano-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-isocyano-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-isocyano-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-isocyano-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3,5-dichloro-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-isocyano-2-phenyl-3-pyrazolin-3-one Formula: C17H9Cl2N3O2 MolecularWeight: 358.17826

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)Cl)Cl

Isomeric SMILES

[C-]#[N+]C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)Cl)Cl

InChI

InChI=1S/C17H9Cl2N3O2/c1-20-16-12(7-10-8-13(18)15(23)14(19)9-10)17(24)22(21-16)11-5-3-2-4-6-11/h2-9,21H