2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)acetic acid CAS Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid IUPAC Name: 2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetic acid Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-phenyl)acetic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C9H9NO6/c1-16-7-3-5(4-8(11)12)2-6(9(7)13)10(14)15/h2-3,13H,4H2,1H3,(H,11,12)