methyl N-[3-(4-hydroxyphenyl)-1-oxidanylidene-isoquinolin-2-yl]carbamate

Systemtic Name: methyl N-[3-(4-hydroxyphenyl)-1-oxidanylidene-isoquinolin-2-yl]carbamate Openeye Name: methyl N-[3-(4-hydroxyphenyl)-1-oxo-2-isoquinolyl]carbamate CAS Name: N-[3-(4-hydroxyphenyl)-1-oxo-2-isoquinolinyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(4-hydroxyphenyl)-1-oxoisoquinolin-2-yl]carbamate Traditional Name: N-[3-(4-hydroxyphenyl)-1-keto-2-isoquinolyl]carbamic acid methyl ester Formula: C17H14N2O4 MolecularWeight: 310.30406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN1C(=CC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)NN1C(=CC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H14N2O4/c1-23-17(22)18-19-15(11-6-8-13(20)9-7-11)10-12-4-2-3-5-14(12)16(19)21/h2-10,20H,1H3,(H,18,22)