N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]hexanamide

Systemtic Name: N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]hexanamide Openeye Name: N-[3-nitro-4-(2-pyridylmethyl)phenyl]hexanamide CAS Name: N-[3-nitro-4-(2-pyridinylmethyl)phenyl]hexanamide IUPAC Name: N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]hexanamide Traditional Name: N-[3-nitro-4-(2-pyridylmethyl)phenyl]hexanamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-2-3-4-8-18(22)20-16-10-9-14(17(13-16)21(23)24)12-15-7-5-6-11-19-15/h5-7,9-11,13H,2-4,8,12H2,1H3,(H,20,22)