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

Systemtic Name: methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitrobenzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-25-18(22)15-8-14(9-16(10-15)20(23)24)17(21)19-7-6-12-4-2-3-5-13(12)11-19/h2-5,8-10H,6-7,11H2,1H3