2-(3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3-keto-4-propargyl-1,4-benzoxazin-2-yl)-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=CC=CC=C2OC(C1=O)N3C(=O)C4=C(C3=O)CCCC4

Isomeric SMILES

C#CCN1C2=CC=CC=C2OC(C1=O)N3C(=O)C4=C(C3=O)CCCC4

InChI

InChI=1S/C19H16N2O4/c1-2-11-20-14-9-5-6-10-15(14)25-19(18(20)24)21-16(22)12-7-3-4-8-13(12)17(21)23/h1,5-6,9-10,19H,3-4,7-8,11H2