4-(3-chloranyl-2-oxidanylidene-pyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile

Systemtic Name: 4-(3-chloranyl-2-oxidanylidene-pyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Openeye Name: 4-(3-chloro-2-oxo-1-pyridyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile CAS Name: 4-(3-chloro-2-oxo-1-pyridinyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile IUPAC Name: 4-(3-chloro-2-oxopyridin-1-yl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Traditional Name: 4-(3-chloro-2-keto-1-pyridyl)-2,2-dimethyl-1,3-benzoxazine-6-carbonitrile Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)Cl)C

Isomeric SMILES

CC1(N=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=C(C3=O)Cl)C

InChI

InChI=1S/C16H12ClN3O2/c1-16(2)19-14(20-7-3-4-12(17)15(20)21)11-8-10(9-18)5-6-13(11)22-16/h3-8H,1-2H3