4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine

Systemtic Name: 4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Openeye Name: 4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine CAS Name: 4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine IUPAC Name: 4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Traditional Name: diethylamine; 4-ethyl-6,7-dimethoxy-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2C(NC1=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC.CCNCC

Isomeric SMILES

CCC1C2=CC(=C(C=C2C(NC1=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC.CCNCC

InChI

InChI=1S/C19H20N2O5.C4H11N/c1-4-13-14-9-16(25-2)17(26-3)10-15(14)18(20-19(13)22)11-5-7-12(8-6-11)21(23)24;1-3-5-4-2/h5-10,13,18H,4H2,1-3H3,(H,20,22);5H,3-4H2,1-2H3