8-(5-nitroindol-1-yl)octyl pyridine-3-carboxylate

Systemtic Name: 8-(5-nitroindol-1-yl)octyl pyridine-3-carboxylate Openeye Name: 8-(5-nitroindol-1-yl)octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-(5-nitro-1-indolyl)octyl ester IUPAC Name: 8-(5-nitroindol-1-yl)octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-(5-nitroindol-1-yl)octyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-22(19-8-7-12-23-17-19)29-15-6-4-2-1-3-5-13-24-14-11-18-16-20(25(27)28)9-10-21(18)24/h7-12,14,16-17H,1-6,13,15H2