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

Systemtic Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-enylcarbamoyl)-4H-pyridine-3-carboxylate Openeye Name: 5-(allylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate CAS Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-[oxo-(prop-2-enylamino)methyl]-4H-pyridine-3-carboxylate IUPAC Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-enylcarbamoyl)-4H-pyridine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Formula: C25H32N3O5- MolecularWeight: 454.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C

Isomeric SMILES

CCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C

InChI

InChI=1S/C25H33N3O5/c1-5-7-8-9-12-16-27-17(3)21(24(29)26-15-6-2)23(22(18(27)4)25(30)31)19-13-10-11-14-20(19)28(32)33/h6,10-11,13-14,23H,2,5,7-9,12,15-16H2,1,3-4H3,(H,26,29)(H,30,31)/p-1