4-(5-nitroindol-1-yl)butyl pyridine-3-carboxylate

Systemtic Name: 4-(5-nitroindol-1-yl)butyl pyridine-3-carboxylate Openeye Name: 4-(5-nitroindol-1-yl)butyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 4-(5-nitro-1-indolyl)butyl ester IUPAC Name: 4-(5-nitroindol-1-yl)butyl pyridine-3-carboxylate Traditional Name: nicotinic acid 4-(5-nitroindol-1-yl)butyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-18(15-4-3-8-19-13-15)25-11-2-1-9-20-10-7-14-12-16(21(23)24)5-6-17(14)20/h3-8,10,12-13H,1-2,9,11H2