2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-[oxo-(prop-2-ynylamino)methyl]-4H-pyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-octyl-5-(propargylcarbamoyl)-4H-pyridine-3-carboxylic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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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/C26H33N3O5/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/h2,11-12,14-15,24H,5,7-10,13,16-17H2,1,3-4H3,(H,27,30)(H,31,32)