butyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(5-oxidanylpenta-2,4-diynoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: butyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(5-oxidanylpenta-2,4-diynoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: butyl 5-(5-hydroxypenta-2,4-diynoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(5-hydroxy-1-oxopenta-2,4-diynyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid butyl ester IUPAC Name: butyl 5-(5-hydroxypenta-2,4-diynoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(5-hydroxypenta-2,4-diynoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid butyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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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)C#CC#CO)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6/c1-4-5-14-31-23(28)21-16(3)24-15(2)20(19(27)12-8-9-13-26)22(21)17-10-6-7-11-18(17)25(29)30/h6-7,10-11,22,24,26H,4-5,14H2,1-3H3