methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanoate

Systemtic Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]ethanoate Openeye Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetate CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]acetate Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]acetic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H18N2O4/c1-24-18(21)11-15-10-16(20(22)23)6-7-17(15)19-9-8-13-4-2-3-5-14(13)12-19/h2-7,10H,8-9,11-12H2,1H3