5-[3-azanyl-1-(1,2-oxazol-3-yl)propyl]-4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-azanyl-1-(1,2-oxazol-3-yl)propyl]-4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(3-amino-1-isoxazol-3-yl-propyl)-4-chloro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-amino-1-(3-isoxazolyl)propyl]-4-chloro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-amino-1-(1,2-oxazol-3-yl)propyl]-4-chloro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(3-amino-1-isoxazol-3-yl-propyl)-4-chloro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1C(CCN)C2C(=CC=C(C2=O)C#N)Cl

Isomeric SMILES

C1=CON=C1C(CCN)C2C(=CC=C(C2=O)C#N)Cl

InChI

InChI=1S/C13H12ClN3O2/c14-10-2-1-8(7-16)13(18)12(10)9(3-5-15)11-4-6-19-17-11/h1-2,4,6,9,12H,3,5,15H2