O4-methyl O1-(4-nitrophenyl) 2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioate

Systemtic Name: O4-methyl O1-(4-nitrophenyl) 2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioate Openeye Name: O4-methyl O1-(4-nitrophenyl) 2-[[2-(benzyloxycarbonylamino)acetyl]amino]butanedioate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanedioic acid O4-methyl ester O1-(4-nitrophenyl) ester IUPAC Name: 4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]succinic acid O4-methyl ester O1-(4-nitrophenyl) ester Formula: C21H21N3O9 MolecularWeight: 459.40614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O9/c1-31-19(26)11-17(20(27)33-16-9-7-15(8-10-16)24(29)30)23-18(25)12-22-21(28)32-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,28)(H,23,25)