4-(4,5-dimethoxy-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-but-2-ynoate CAS Name: 4-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-2-butynoate IUPAC Name: 4-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxybut-2-ynoate Traditional Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-but-2-ynoate Formula: C12H10NO7- MolecularWeight: 280.2103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C#CC(=O)[O-])O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C#CC(=O)[O-])O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H11NO7/c1-19-10-5-7(9(14)3-4-12(15)16)8(13(17)18)6-11(10)20-2/h5-6,9,14H,1-2H3,(H,15,16)/p-1