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

Systemtic Name: [3-(4-nitrophenyl)-4-oxidanylidene-chromen-7-yl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] (2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-nitrophenyl)-4-oxochromen-7-yl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [4-keto-3-(4-nitrophenyl)chromen-7-yl] ester Formula: C26H28N2O8 MolecularWeight: 496.50912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O8/c1-15(2)12-21(27-25(31)36-26(3,4)5)24(30)35-18-10-11-19-22(13-18)34-14-20(23(19)29)16-6-8-17(9-7-16)28(32)33/h6-11,13-15,21H,12H2,1-5H3,(H,27,31)/t21-/m1/s1