ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-nitro-benzoate Openeye Name: ethyl 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitro-benzoate CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitrobenzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-2-26-19(23)16-9-15(10-17(11-16)21(24)25)18(22)20-8-7-13-5-3-4-6-14(13)12-20/h3-6,9-11H,2,7-8,12H2,1H3