2-[3,5-bis(methoxycarbonyl)-4-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-bis(methoxycarbonyl)-4-nitro-phenoxy]ethanoic acid Openeye Name: 2-[3,5-bis(methoxycarbonyl)-4-nitro-phenoxy]acetic acid CAS Name: 2-[3,5-bis(methoxycarbonyl)-4-nitrophenoxy]acetic acid IUPAC Name: 2-[3,5-bis(methoxycarbonyl)-4-nitrophenoxy]acetic acid Traditional Name: 2-(3,5-dicarbomethoxy-4-nitro-phenoxy)acetic acid Formula: C12H11NO9 MolecularWeight: 313.21704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO9/c1-20-11(16)7-3-6(22-5-9(14)15)4-8(12(17)21-2)10(7)13(18)19/h3-4H,5H2,1-2H3,(H,14,15)