ethyl 1-[3,4-bis(oxidanyl)phenyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[3,4-bis(oxidanyl)phenyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(3,4-dihydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(3,4-dihydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dihydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(3,4-dihydroxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-2-26-18(23)19-8-7-11-3-5-13(20(24)25)10-14(11)17(19)12-4-6-15(21)16(22)9-12/h3-6,9-10,17,21-22H,2,7-8H2,1H3