3-[1-(4-methyl-3-nitro-phenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(4-methyl-3-nitro-phenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(4-methyl-3-nitro-phenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(4-methyl-3-nitrophenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(4-methyl-3-nitrophenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(4-methyl-3-nitro-phenyl)ethylamino]azepan-2-one Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC2CCCCNC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC2CCCCNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-10-6-7-12(9-14(10)18(20)21)11(2)17-13-5-3-4-8-16-15(13)19/h6-7,9,11,13,17H,3-5,8H2,1-2H3,(H,16,19)