3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-pyrrole-2-carbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-pyrrole-2-carbonitrile Openeye Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-pyrrole-2-carbonitrile CAS Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-2-pyrrolecarbonitrile IUPAC Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynylpyrrole-2-carbonitrile Traditional Name: 3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1-propargyl-pyrrole-2-carbonitrile Formula: C18H15N3O2 MolecularWeight: 305.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2/c1-4-8-21-9-7-13(16(21)11-19)12-5-6-15-14(10-12)18(2,3)23-17(22)20-15/h1,5-7,9-10H,8H2,2-3H3,(H,20,22)