3-(7-chloranyl-4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-methoxy-benzenecarbonitrile

Systemtic Name: 3-(7-chloranyl-4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-methoxy-benzenecarbonitrile Openeye Name: 3-(7-chloro-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methoxy-benzonitrile CAS Name: 3-(7-chloro-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methoxybenzonitrile IUPAC Name: 3-(7-chloro-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-methoxybenzonitrile Traditional Name: 3-(7-chloro-2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-2-methoxy-benzonitrile Formula: C18H15ClN2O3 MolecularWeight: 342.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C(=C2)C3=CC=CC(=C3OC)C#N)Cl)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=C(C(=C2)C3=CC=CC(=C3OC)C#N)Cl)NC(=O)O1)C

InChI

InChI=1S/C18H15ClN2O3/c1-18(2)13-7-12(14(19)8-15(13)21-17(22)24-18)11-6-4-5-10(9-20)16(11)23-3/h4-8H,1-3H3,(H,21,22)