(2-iodanyl-5-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2-iodanyl-5-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: (2-iodo-5-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (2-iodo-5-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2-iodo-5-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (2-iodo-5-nitro-phenyl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C13H16IN3O3 MolecularWeight: 389.18891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16IN3O3/c1-15-5-2-6-16(8-7-15)13(18)11-9-10(17(19)20)3-4-12(11)14/h3-4,9H,2,5-8H2,1H3