(phenylmethyl) 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoate Openeye Name: benzyl 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoate CAS Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoate Traditional Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propionic acid benzyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4/c22-19(25-14-15-4-2-1-3-5-15)9-11-20-10-8-16-6-7-18(21(23)24)12-17(16)13-20/h1-7,12H,8-11,13-14H2