4,4-bis(azepan-1-yl)-1,1-bis(chloranyl)-3-nitro-but-3-en-2-one

Systemtic Name: 4,4-bis(azepan-1-yl)-1,1-bis(chloranyl)-3-nitro-but-3-en-2-one Openeye Name: 4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitro-but-3-en-2-one CAS Name: 4,4-bis(1-azepanyl)-1,1-dichloro-3-nitro-3-buten-2-one IUPAC Name: 4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitrobut-3-en-2-one Traditional Name: 4,4-bis(azepan-1-yl)-1,1-dichloro-3-nitro-but-3-en-2-one Formula: C16H25Cl2N3O3 MolecularWeight: 378.294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=C(C(=O)C(Cl)Cl)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

C1CCCN(CC1)C(=C(C(=O)C(Cl)Cl)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C16H25Cl2N3O3/c17-15(18)14(22)13(21(23)24)16(19-9-5-1-2-6-10-19)20-11-7-3-4-8-12-20/h15H,1-12H2