methyl 4-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 4-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-[[2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-4-[[2-keto-2-(4-nitrophenoxy)ethyl]amino]butyric acid methyl ester Formula: C21H21N3O9 MolecularWeight: 459.40614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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