(4-bromanyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-bromo-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (4-bromo-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: (4-bromo-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-bromo-3-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C13H16BrN3O3 MolecularWeight: 342.18844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrN3O3/c1-15-5-2-6-16(8-7-15)13(18)10-3-4-11(14)12(9-10)17(19)20/h3-4,9H,2,5-8H2,1H3