1-[2-(3-methyl-4-nitro-phenoxy)ethyl]azepane

Systemtic Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]azepane Openeye Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]azepane CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]azepane IUPAC Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]azepane Traditional Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]azepane Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-13-12-14(6-7-15(13)17(18)19)20-11-10-16-8-4-2-3-5-9-16/h6-7,12H,2-5,8-11H2,1H3