1-methyl-2-[(4-nitrophenyl)methyl]azepane

Systemtic Name: 1-methyl-2-[(4-nitrophenyl)methyl]azepane Openeye Name: 1-methyl-2-[(4-nitrophenyl)methyl]azepane CAS Name: 1-methyl-2-[(4-nitrophenyl)methyl]azepane IUPAC Name: 1-methyl-2-[(4-nitrophenyl)methyl]azepane Traditional Name: 1-methyl-2-(4-nitrobenzyl)azepane Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCCCCC1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-15-10-4-2-3-5-14(15)11-12-6-8-13(9-7-12)16(17)18/h6-9,14H,2-5,10-11H2,1H3