1,3-benzodioxol-5-yl (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: (2R)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O8/c1-9(18(23)28-10-5-6-13-14(7-10)27-8-26-13)19-16(21)11-3-2-4-12(20(24)25)15(11)17(19)22/h2-7,9H,8H2,1H3/t9-/m1/s1