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3-(3-Morpholin-4-yl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid
SpectraBase Compound ID Jn2lWn7hxl
InChI InChI=1S/C21H18N2O5/c24-19-15-6-1-2-7-16(15)20(25)18(23-8-10-28-11-9-23)17(19)22-14-5-3-4-13(12-14)21(26)27/h1-7,12,22H,8-11H2,(H,26,27)
InChIKey RKRRTHBMNDJIQQ-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeI3Zu59oIw
Name 3-(3-Morpholin-4-yl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid
Alternate Name(s) 3-[(1,4-diketo-3-morpholino-2-naphthyl)amino]benzoic acid 3-[(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)amino]benzoic acid 3-[(3-morpholino-1,4-dioxo-2-naphthyl)amino]benzoic acid 3-[[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid 3-[[3-morpholin-4-yl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid
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Formula C21H18N2O5
InChI InChI=1S/C21H18N2O5/c24-19-15-6-1-2-7-16(15)20(25)18(23-8-10-28-11-9-23)17(19)22-14-5-3-4-13(12-14)21(26)27/h1-7,12,22H,8-11H2,(H,26,27)
InChIKey RKRRTHBMNDJIQQ-UHFFFAOYSA-N
Molecular Weight 378.384 g/mol
SMILES N(C1=C(C(=O)c2c(C1=O)cccc2)N1CCOCC1)c1cc(C(=O)O)ccc1
SPLASH splash10-00b9-8964000000-0908b21f6e2437e4af90
Wiley ID 1442387