hexa-2,4-diynyl 2,6-dimethyl-4-[6-(3-nitrophenyl)pyridin-3-yl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: hexa-2,4-diynyl 2,6-dimethyl-4-[6-(3-nitrophenyl)pyridin-3-yl]-1,4-dihydropyridine-3-carboxylate Openeye Name: hexa-2,4-diynyl 2,6-dimethyl-4-[6-(3-nitrophenyl)-3-pyridyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[6-(3-nitrophenyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylic acid hexa-2,4-diynyl ester IUPAC Name: hexa-2,4-diynyl 2,6-dimethyl-4-[6-(3-nitrophenyl)pyridin-3-yl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-[6-(3-nitrophenyl)-3-pyridyl]-1,4-dihydropyridine-3-carboxylic acid hexa-2,4-diynyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CCOC(=O)C1=C(NC(=CC1C2=CN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC#CC#CCOC(=O)C1=C(NC(=CC1C2=CN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H21N3O4/c1-4-5-6-7-13-32-25(29)24-18(3)27-17(2)14-22(24)20-11-12-23(26-16-20)19-9-8-10-21(15-19)28(30)31/h8-12,14-16,22,27H,13H2,1-3H3