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

Systemtic Name: 3-phenylprop-2-ynyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-phenylprop-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 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-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 3-phenylprop-2-ynyl ester Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC#CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC#CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C28H23N3O4/c1-19-25(23-13-7-15-29-18-23)27(22-12-6-14-24(17-22)31(33)34)26(20(2)30-19)28(32)35-16-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,17-18,27,30H,16H2,1-2H3