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

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-ethoxy-3-nitro-phenyl)methanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OCC)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OCC)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-4-28-19-8-7-16(11-18(19)24(26)27)22(25)23-10-9-15-12-20(29-5-2)21(30-6-3)13-17(15)14-23/h7-8,11-13H,4-6,9-10,14H2,1-3H3