2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid 2-phthalimidoethyl ester Formula: C20H19N3O9S MolecularWeight: 477.44456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O9S/c1-31-17-7-6-13(12-16(17)23(27)28)33(29,30)21-9-8-18(24)32-11-10-22-19(25)14-4-2-3-5-15(14)20(22)26/h2-7,12,21H,8-11H2,1H3