(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dinitrophenyl)methanone Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7/c1-3-29-18-9-13-5-6-21(12-15(13)10-19(18)30-4-2)20(24)14-7-16(22(25)26)11-17(8-14)23(27)28/h7-11H,3-6,12H2,1-2H3