O3-butyl O5-(2-dimethylaminoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-butyl O5-(2-dimethylaminoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-butyl O5-(2-dimethylaminoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-butyl ester O5-(2-dimethylaminoethyl) ester IUPAC Name: 3-O-butyl 5-O-(2-dimethylaminoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-butyl ester O5-(2-dimethylaminoethyl) ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)C)C)C

InChI

InChI=1S/C23H31N3O6/c1-6-7-12-31-22(27)19-15(2)24-16(3)20(23(28)32-13-11-25(4)5)21(19)17-9-8-10-18(14-17)26(29)30/h8-10,14,21,24H,6-7,11-13H2,1-5H3