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

Systemtic Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Openeye Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid CAS Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-[oxo-(prop-2-ynylamino)methyl]-4H-pyridine-3-carboxylic acid IUPAC Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Traditional Name: 1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-5-(propargylcarbamoyl)-4H-pyridine-3-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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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/C25H31N3O5/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/h2,10-11,13-14,23H,5,7-9,12,15-16H2,1,3-4H3,(H,26,29)(H,30,31)