4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Openeye Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide CAS Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide IUPAC Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide Traditional Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-3-27-18-10-13-7-8-22(12-15(13)11-19(18)28-4-2)16-6-5-14(20(21)24)9-17(16)23(25)26/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,21,24)