2-(azepan-3-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 2-(azepan-3-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 2-(azepan-3-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 2-(3-azepanyl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone IUPAC Name: 2-(azepan-3-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 2-(azepan-3-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCNC1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1CCCCNC1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-9(10-4-2-3-5-16-8-10)14(19)11-6-12(17(21)22)15(20)13(18)7-11/h6-7,9-10,16,18,20H,2-5,8H2,1H3