methyl (3Z)-3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-4-oxidanylidene-pentanoate

Systemtic Name: methyl (3Z)-3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]-4-oxidanylidene-pentanoate Openeye Name: methyl (3Z)-3-[(3,4-dihydroxy-5-nitro-phenyl)methylene]-4-oxo-pentanoate CAS Name: (3Z)-3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-4-oxopentanoic acid methyl ester IUPAC Name: methyl (3Z)-3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]-4-oxopentanoate Traditional Name: (Z)-3-acetyl-4-(3,4-dihydroxy-5-nitro-phenyl)but-3-enoic acid methyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/CC(=O)OC

InChI

InChI=1S/C13H13NO7/c1-7(15)9(6-12(17)21-2)3-8-4-10(14(19)20)13(18)11(16)5-8/h3-5,16,18H,6H2,1-2H3/b9-3-