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2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid


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Chemical Component Summary

Name2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
Identifiers2-methoxy-4-(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl)benzoic acid
FormulaC21 H16 N2 O4
Molecular Weight360.363
TypeNON-POLYMER
Isomeric SMILESCOc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O
InChIInChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26)
InChIKeyOEIBPYXEHRSJOU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 10406209
ChEMBL CHEMBL552355