(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitro-phenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitro-phenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitro-phenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitrophenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitrophenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-2-nitro-phenyl)methanone Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N2O5/c1-4-27-18-11-15-9-10-22(13-16(15)12-19(18)28-5-2)21(24)17-8-6-7-14(3)20(17)23(25)26/h6-8,11-12H,4-5,9-10,13H2,1-3H3