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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1C3=CC=CC=C3O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1C3=CC=CC=C3O)C=C(C=C2)[N+](=O)[O-]

InChI

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