6-(5-nitroindol-1-yl)hexyl pyridine-3-carboxylate

Systemtic Name: 6-(5-nitroindol-1-yl)hexyl pyridine-3-carboxylate Openeye Name: 6-(5-nitroindol-1-yl)hexyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 6-(5-nitro-1-indolyl)hexyl ester IUPAC Name: 6-(5-nitroindol-1-yl)hexyl pyridine-3-carboxylate Traditional Name: nicotinic acid 6-(5-nitroindol-1-yl)hexyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c24-20(17-6-5-10-21-15-17)27-13-4-2-1-3-11-22-12-9-16-14-18(23(25)26)7-8-19(16)22/h5-10,12,14-15H,1-4,11,13H2