methyl (2S)-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-5-(benzyloxycarbonylamino)-2-(5-nitro-1-oxo-isoindolin-2-yl)pentanoate CAS Name: (2S)-2-(6-nitro-3-oxo-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-nitro-3-oxo-1H-isoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-5-(benzyloxycarbonylamino)-2-(1-keto-5-nitro-isoindolin-2-yl)valeric acid methyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCCNC(=O)OCC1=CC=CC=C1)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7/c1-31-21(27)19(8-5-11-23-22(28)32-14-15-6-3-2-4-7-15)24-13-16-12-17(25(29)30)9-10-18(16)20(24)26/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,23,28)/t19-/m0/s1