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3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyphenyl)propionamide
SpectraBase Compound ID FGKG6rkUiXS
InChI InChI=1S/C22H17N3O6/c1-31-18-8-3-2-7-16(18)23-19(26)11-12-24-21(27)14-6-4-5-13-17(25(29)30)10-9-15(20(13)14)22(24)28/h2-10H,11-12H2,1H3,(H,23,26)
InChIKey HJUXXJBICDLYHE-UHFFFAOYSA-N
Mol Weight 419.39 g/mol
Molecular Formula C22H17N3O6
Exact Mass 419.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i8K3BPRFsL
Name 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-methoxyphenyl)propionamide
Alternate Name(s) N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamide N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propanamide N-(2-methoxyphenyl)-3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanamide N-(2-methoxyphenyl)-3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanamide
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Formula C22H17N3O6
InChI InChI=1S/C22H17N3O6/c1-31-18-8-3-2-7-16(18)23-19(26)11-12-24-21(27)14-6-4-5-13-17(25(29)30)10-9-15(20(13)14)22(24)28/h2-10H,11-12H2,1H3,(H,23,26)
InChIKey HJUXXJBICDLYHE-UHFFFAOYSA-N
Molecular Weight 419.393 g/mol
SMILES N(C(CCN1C(c2ccc(N(=O)=O)c3c2c(C1=O)ccc3)=O)=O)c1c(OC)cccc1
SPLASH splash10-0ab9-4950000000-c62cca3ac19a3a57302b
Wiley ID 1442973