2-(azepan-1-ylmethyl)-3-methyl-6-nitro-aniline

Systemtic Name: 2-(azepan-1-ylmethyl)-3-methyl-6-nitro-aniline Openeye Name: 2-(azepan-1-ylmethyl)-3-methyl-6-nitro-aniline CAS Name: 2-(1-azepanylmethyl)-3-methyl-6-nitroaniline IUPAC Name: 2-(azepan-1-ylmethyl)-3-methyl-6-nitroaniline Traditional Name: [2-(azepan-1-ylmethyl)-3-methyl-6-nitro-phenyl]amine Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)CN2CCCCCC2

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)CN2CCCCCC2

InChI

InChI=1S/C14H21N3O2/c1-11-6-7-13(17(18)19)14(15)12(11)10-16-8-4-2-3-5-9-16/h6-7H,2-5,8-10,15H2,1H3