ethyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(3-oxidanylprop-2-ynoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(3-oxidanylprop-2-ynoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-(3-hydroxyprop-2-ynoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(3-hydroxy-1-oxoprop-2-ynyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-hydroxyprop-2-ynoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(3-hydroxypropioloyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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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)C#CO)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-4-27-19(24)17-12(3)20-11(2)16(15(23)9-10-22)18(17)13-7-5-6-8-14(13)21(25)26/h5-8,18,20,22H,4H2,1-3H3