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

Systemtic Name: methyl N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]methyl]carbamate Openeye Name: methyl N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]methyl]carbamate CAS Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]methyl]carbamate Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzyl]carbamic acid methyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H19N3O4/c1-25-18(22)19-11-15-10-16(21(23)24)6-7-17(15)20-9-8-13-4-2-3-5-14(13)12-20/h2-7,10H,8-9,11-12H2,1H3,(H,19,22)