ethyl 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-hydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1C3=CC=C(C=C3)O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1C3=CC=C(C=C3)O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-2-25-18(22)19-10-9-12-3-6-14(20(23)24)11-16(12)17(19)13-4-7-15(21)8-5-13/h3-8,11,17,21H,2,9-10H2,1H3