[3-(4-nitrophenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [3-(4-nitrophenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [3-(4-nitrophenoxy)-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenoxy)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-valeric acid [4-keto-3-(4-nitrophenoxy)chromen-7-yl] ester Formula: C26H28N2O9 MolecularWeight: 512.50852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H28N2O9/c1-6-15(2)22(27-25(31)37-26(3,4)5)24(30)36-18-11-12-19-20(13-18)34-14-21(23(19)29)35-17-9-7-16(8-10-17)28(32)33/h7-15,22H,6H2,1-5H3,(H,27,31)