4-chloranyl-3-fluoranyl-5-[5-(methylamino)pent-1-en-3-yl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile hydrochloride

Systemtic Name: 4-chloranyl-3-fluoranyl-5-[5-(methylamino)pent-1-en-3-yl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile hydrochloride Openeye Name: 4-chloro-3-fluoro-5-[1-[2-(methylamino)ethyl]allyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile hydrochloride CAS Name: 4-chloro-3-fluoro-5-[5-(methylamino)pent-1-en-3-yl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile hydrochloride IUPAC Name: 4-chloro-3-fluoro-5-[5-(methylamino)pent-1-en-3-yl]-6-oxocyclohexa-1,3-diene-1-carbonitrile hydrochloride Traditional Name: 4-chloro-3-fluoro-6-keto-5-[1-[2-(methylamino)ethyl]allyl]cyclohexa-1,3-diene-1-carbonitrile hydrochloride Formula: C13H15Cl2FN2O MolecularWeight: 305.175403

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C=C)C1C(=C(C=C(C1=O)C#N)F)Cl.Cl

Isomeric SMILES

CNCCC(C=C)C1C(=C(C=C(C1=O)C#N)F)Cl.Cl

InChI

InChI=1S/C13H14ClFN2O.ClH/c1-3-8(4-5-17-2)11-12(14)10(15)6-9(7-16)13(11)18;/h3,6,8,11,17H,1,4-5H2,2H3;1H