4-(5-methoxy-4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoic acid

Systemtic Name: 4-(5-methoxy-4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoic acid Openeye Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitro-phenyl)but-2-ynoic acid CAS Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitrophenyl)-2-butynoic acid IUPAC Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitrophenyl)but-2-ynoic acid Traditional Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitro-phenyl)but-2-ynoic acid Formula: C12H11NO6 MolecularWeight: 265.21884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)C(C#CC(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OC)C(C#CC(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO6/c1-7-5-9(13(17)18)8(6-11(7)19-2)10(14)3-4-12(15)16/h5-6,10,14H,1-2H3,(H,15,16)