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

Systemtic Name: 3-(diethylamino)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 3-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 3-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone IUPAC Name: 3-(diethylamino)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 3-(diethylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCC(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-3-14(4-2)6-5-11(16)9-7-10(15(19)20)13(18)12(17)8-9/h7-8,17-18H,3-6H2,1-2H3