2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-enylcarbamoyl)-4H-pyridine-3-carboxylate

Systemtic Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-enylcarbamoyl)-4H-pyridine-3-carboxylate Openeye Name: 5-(allylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-4H-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-[oxo-(prop-2-enylamino)methyl]-4H-pyridine-3-carboxylate IUPAC Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-enylcarbamoyl)-4H-pyridine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-4H-pyridine-3-carboxylate Formula: C26H34N3O5- MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C

Isomeric SMILES

CCCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C

InChI

InChI=1S/C26H35N3O5/c1-5-7-8-9-10-13-17-28-18(3)22(25(30)27-16-6-2)24(23(19(28)4)26(31)32)20-14-11-12-15-21(20)29(33)34/h6,11-12,14-15,24H,2,5,7-10,13,16-17H2,1,3-4H3,(H,27,30)(H,31,32)/p-1