prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid propargyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-4-11-29-22(26)20-15(3)24-14(2)19(17-8-6-10-23-13-17)21(20)16-7-5-9-18(12-16)25(27)28/h1,5-10,12-13,21,24H,11H2,2-3H3