5-(azepan-1-yl)-N-methyl-2-nitro-aniline

Systemtic Name: 5-(azepan-1-yl)-N-methyl-2-nitro-aniline Openeye Name: 5-(azepan-1-yl)-N-methyl-2-nitro-aniline CAS Name: 5-(1-azepanyl)-N-methyl-2-nitroaniline IUPAC Name: 5-(azepan-1-yl)-N-methyl-2-nitroaniline Traditional Name: [5-(azepan-1-yl)-2-nitro-phenyl]-methyl-amine Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2/c1-14-12-10-11(6-7-13(12)16(17)18)15-8-4-2-3-5-9-15/h6-7,10,14H,2-5,8-9H2,1H3