diethyl 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,3-dihydro-1H-isoindole

Systemtic Name: diethyl 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,3-dihydro-1H-isoindole Openeye Name: diethyl 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; isoindoline CAS Name: 2,3-dihydro-1H-isoindole; 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,3-dihydro-1H-isoindole Traditional Name: 2-(2-dimethylaminoethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester; isoindoline Formula: C30H38N4O6 MolecularWeight: 550.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CCN(C)C)C.C1C2=CC=CC=C2CN1

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CCN(C)C)C.C1C2=CC=CC=C2CN1

InChI

InChI=1S/C22H29N3O6.C8H9N/c1-6-30-21(26)18-14(3)23-17(11-12-24(4)5)20(22(27)31-7-2)19(18)15-9-8-10-16(13-15)25(28)29;1-2-4-8-6-9-5-7(8)3-1/h8-10,13,19,23H,6-7,11-12H2,1-5H3;1-4,9H,5-6H2