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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzoate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoic acid methyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c1-23-17(20)15-10-14(19(21)22)6-7-16(15)18-9-8-12-4-2-3-5-13(12)11-18/h2-7,10H,8-9,11H2,1H3