2-[4-(5-methanoyl-3-methoxy-2-oxidanyl-phenoxy)-3-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-(5-methanoyl-3-methoxy-2-oxidanyl-phenoxy)-3-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-(5-formyl-2-hydroxy-3-methoxy-phenoxy)-3-nitro-phenyl]acetic acid CAS Name: 2-[4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-nitrophenyl]acetic acid IUPAC Name: 2-[4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-nitrophenyl]acetic acid Traditional Name: 2-[4-(5-formyl-2-hydroxy-3-methoxy-phenoxy)-3-nitro-phenyl]acetic acid Formula: C16H13NO8 MolecularWeight: 347.27632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC2=C(C=C(C=C2)CC(=O)O)[N+](=O)[O-])C=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC2=C(C=C(C=C2)CC(=O)O)[N+](=O)[O-])C=O

InChI

InChI=1S/C16H13NO8/c1-24-13-5-10(8-18)6-14(16(13)21)25-12-3-2-9(7-15(19)20)4-11(12)17(22)23/h2-6,8,21H,7H2,1H3,(H,19,20)