(E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-3-28-20-13-17-10-11-23(15-18(17)14-21(20)29-4-2)22(25)9-8-16-6-5-7-19(12-16)24(26)27/h5-9,12-14H,3-4,10-11,15H2,1-2H3/b9-8+