4-[3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid

Systemtic Name: 4-[3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-[3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid CAS Name: 4-[3-(4-carboxy-2-methoxy-5-nitrophenoxy)propoxy]-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-[3-(4-carboxy-2-methoxy-5-nitrophenoxy)propoxy]-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-[3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid Formula: C19H18N2O12 MolecularWeight: 466.35242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C19H18N2O12/c1-30-14-6-10(18(22)23)12(20(26)27)8-16(14)32-4-3-5-33-17-9-13(21(28)29)11(19(24)25)7-15(17)31-2/h6-9H,3-5H2,1-2H3,(H,22,23)(H,24,25)