azepan-1-yl-(4-bromanyl-3-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(4-bromanyl-3-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(4-bromo-3-nitro-phenyl)methanone CAS Name: 1-azepanyl-(4-bromo-3-nitrophenyl)methanone IUPAC Name: azepan-1-yl-(4-bromo-3-nitrophenyl)methanone Traditional Name: azepan-1-yl-(4-bromo-3-nitro-phenyl)methanone Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H15BrN2O3/c14-11-6-5-10(9-12(11)16(18)19)13(17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2