N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6/c1-4-31-20-11-16-8-9-25(14-18(16)12-21(20)32-5-2)22(27)13-24-23(28)17-7-6-15(3)19(10-17)26(29)30/h6-7,10-12H,4-5,8-9,13-14H2,1-3H3,(H,24,28)