ditert-butyl 2-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxycarbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxycarbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[(6-bromo-7-hydroxy-2-oxo-chromen-4-yl)methoxycarbonylamino]pentanedioate CAS Name: 2-[[(6-bromo-7-hydroxy-2-oxo-1-benzopyran-4-yl)methoxy-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methoxycarbonylamino]pentanedioate Traditional Name: 2-[(6-bromo-7-hydroxy-2-keto-chromen-4-yl)methoxycarbonylamino]glutaric acid ditert-butyl ester Formula: C24H30BrNO9 MolecularWeight: 556.4003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)O

InChI

InChI=1S/C24H30BrNO9/c1-23(2,3)34-19(28)8-7-16(21(30)35-24(4,5)6)26-22(31)32-12-13-9-20(29)33-18-11-17(27)15(25)10-14(13)18/h9-11,16,27H,7-8,12H2,1-6H3,(H,26,31)