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

Systemtic Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-nonyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-nonyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-nonyl-5-[oxo-(prop-2-ynylamino)methyl]-4H-pyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-nonyl-5-(prop-2-ynylcarbamoyl)-4H-pyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1-nonyl-5-(propargylcarbamoyl)-4H-pyridine-3-carboxylic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC#C)C

Isomeric SMILES

CCCCCCCCCN1C(=C(C(C(=C1C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC#C)C

InChI

InChI=1S/C27H35N3O5/c1-5-7-8-9-10-11-14-18-29-19(3)23(26(31)28-17-6-2)25(24(20(29)4)27(32)33)21-15-12-13-16-22(21)30(34)35/h2,12-13,15-16,25H,5,7-11,14,17-18H2,1,3-4H3,(H,28,31)(H,32,33)