4,5-dimethoxy-2-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H23N3O6/c1-4-20(25)23-8-7-13-5-6-15(9-14(13)12-23)22-21(26)16-10-18(29-2)19(30-3)11-17(16)24(27)28/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,22,26)