3-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]-2-propynenitrile IUPAC Name: 3-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)phenyl]propiolonitrile Formula: C19H14N2O2 MolecularWeight: 302.32666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O2/c1-19(2)16-12-15(8-9-17(16)21-18(22)23-19)14-7-3-5-13(11-14)6-4-10-20/h3,5,7-9,11-12H,1-2H3,(H,21,22)