6-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]quinoline-5,8-dione

Systemtic Name: 6-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]quinoline-5,8-dione Openeye Name: 6-[2-(4-hydroxy-3-methoxy-phenyl)ethylamino]quinoline-5,8-dione CAS Name: 6-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]quinoline-5,8-dione IUPAC Name: 6-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]quinoline-5,8-dione Traditional Name: 6-(homovanillylamino)quinoline-5,8-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)O

InChI

InChI=1S/C18H16N2O4/c1-24-16-9-11(4-5-14(16)21)6-8-19-13-10-15(22)17-12(18(13)23)3-2-7-20-17/h2-5,7,9-10,19,21H,6,8H2,1H3