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

Systemtic Name: 6-[6-(5-nitroindol-1-yl)hexyl]pyridine-3-carboxylate Openeye Name: 6-[6-(5-nitroindol-1-yl)hexyl]pyridine-3-carboxylate CAS Name: 6-[6-(5-nitro-1-indolyl)hexyl]-3-pyridinecarboxylate IUPAC Name: 6-[6-(5-nitroindol-1-yl)hexyl]pyridine-3-carboxylate Traditional Name: 6-[6-(5-nitroindol-1-yl)hexyl]nicotinate Formula: C20H20N3O4- MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCCCCC3=NC=C(C=C3)C(=O)[O-])C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN2CCCCCCC3=NC=C(C=C3)C(=O)[O-])C=C1[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c24-20(25)16-6-7-17(21-14-16)5-3-1-2-4-11-22-12-10-15-13-18(23(26)27)8-9-19(15)22/h6-10,12-14H,1-5,11H2,(H,24,25)/p-1