[3-(4-nitrophenoxy)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [3-(4-nitrophenoxy)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [5-hydroxy-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 [5-hydroxy-3-(4-nitrophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-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 [5-hydroxy-4-keto-3-(4-nitrophenoxy)chromen-7-yl] ester Formula: C26H28N2O10 MolecularWeight: 528.50792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC(=C2C(=C1)OC=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H28N2O10/c1-6-14(2)22(27-25(32)38-26(3,4)5)24(31)37-17-11-18(29)21-19(12-17)35-13-20(23(21)30)36-16-9-7-15(8-10-16)28(33)34/h7-14,22,29H,6H2,1-5H3,(H,27,32)