N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3,5-dinitro-N-phenethyl-benzamide

Systemtic Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3,5-dinitro-N-phenethyl-benzamide Openeye Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3,5-dinitro-N-phenethyl-benzamide CAS Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,5-dinitro-N-phenethylbenzamide IUPAC Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3,5-dinitro-N-phenethylbenzamide Traditional Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3,5-dinitro-N-phenethyl-benzamide Formula: C28H28N4O8 MolecularWeight: 548.54392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C28H28N4O8/c1-39-25-14-20-9-11-29(17-22(20)15-26(25)40-2)27(33)18-30(10-8-19-6-4-3-5-7-19)28(34)21-12-23(31(35)36)16-24(13-21)32(37)38/h3-7,12-16H,8-11,17-18H2,1-2H3