1-(3-methyl-4-nitro-phenyl)azepane

Systemtic Name: 1-(3-methyl-4-nitro-phenyl)azepane Openeye Name: 1-(3-methyl-4-nitro-phenyl)azepane CAS Name: 1-(3-methyl-4-nitrophenyl)azepane IUPAC Name: 1-(3-methyl-4-nitrophenyl)azepane Traditional Name: 1-(3-methyl-4-nitro-phenyl)azepane Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O2/c1-11-10-12(6-7-13(11)15(16)17)14-8-4-2-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3