1-cyclohexa-1,3-dien-5-yn-1-ylcarbonyl-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one

Systemtic Name: 1-cyclohexa-1,3-dien-5-yn-1-ylcarbonyl-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one Openeye Name: 1-(cyclohexa-1,3-dien-5-yne-1-carbonyl)-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one CAS Name: 1-[1-cyclohexa-1,3-dien-5-ynyl(oxo)methyl]-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one IUPAC Name: 1-(cyclohexa-1,3-dien-5-yne-1-carbonyl)-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one Traditional Name: 1-(cyclohexa-1,3-dien-5-yne-1-carbonyl)-2-(4-methoxyphenyl)-2H-3,1-benzoxazin-4-one Formula: C22H15NO4 MolecularWeight: 357.3588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2N(C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC#C4

Isomeric SMILES

COC1=CC=C(C=C1)C2N(C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC#C4

InChI

InChI=1S/C22H15NO4/c1-26-17-13-11-16(12-14-17)21-23(20(24)15-7-3-2-4-8-15)19-10-6-5-9-18(19)22(25)27-21/h2-3,5-7,9-14,21H,1H3