methyl (2E)-2-(6-nitro-3-oxidanylidene-2-benzofuran-1-ylidene)propanoate

Systemtic Name: methyl (2E)-2-(6-nitro-3-oxidanylidene-2-benzofuran-1-ylidene)propanoate Openeye Name: methyl (2E)-2-(6-nitro-3-oxo-isobenzofuran-1-ylidene)propanoate CAS Name: (2E)-2-(6-nitro-3-oxo-1-isobenzofuranylidene)propanoic acid methyl ester IUPAC Name: methyl (2E)-2-(6-nitro-3-oxo-2-benzofuran-1-ylidene)propanoate Traditional Name: (2E)-2-(3-keto-6-nitro-phthalan-1-ylidene)propionic acid methyl ester Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1)C(=O)OC

Isomeric SMILES

C/C(=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1)/C(=O)OC

InChI

InChI=1S/C12H9NO6/c1-6(11(14)18-2)10-9-5-7(13(16)17)3-4-8(9)12(15)19-10/h3-5H,1-2H3/b10-6+