1-[4-(4-nitrophenoxy)butan-2-yl]azepane

Systemtic Name: 1-[4-(4-nitrophenoxy)butan-2-yl]azepane Openeye Name: 1-[1-methyl-3-(4-nitrophenoxy)propyl]azepane CAS Name: 1-[4-(4-nitrophenoxy)butan-2-yl]azepane IUPAC Name: 1-[4-(4-nitrophenoxy)butan-2-yl]azepane Traditional Name: 1-[1-methyl-3-(4-nitrophenoxy)propyl]azepane Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C16H24N2O3/c1-14(17-11-4-2-3-5-12-17)10-13-21-16-8-6-15(7-9-16)18(19)20/h6-9,14H,2-5,10-13H2,1H3