(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c23-19(21-8-7-14-3-1-2-4-16(14)11-21)6-5-15-9-18(22(24)25)10-17-12-26-13-27-20(15)17/h1-6,9-10H,7-8,11-13H2/b6-5+