4-[1-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid

Systemtic Name: 4-[1-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid Openeye Name: 4-[1-(4-carboxy-2-methoxy-5-nitro-phenoxy)propoxy]-5-methoxy-2-nitro-benzoic acid CAS Name: 4-[1-(4-carboxy-2-methoxy-5-nitrophenoxy)propoxy]-5-methoxy-2-nitrobenzoic acid IUPAC Name: 4-[1-(4-carboxy-2-methoxy-5-nitrophenoxy)propoxy]-5-methoxy-2-nitrobenzoic acid Traditional Name: 4-[1-(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:

CCC(OC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC)OC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

CCC(OC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC)OC2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C19H18N2O12/c1-4-17(32-15-7-11(20(26)27)9(18(22)23)5-13(15)30-2)33-16-8-12(21(28)29)10(19(24)25)6-14(16)31-3/h5-8,17H,4H2,1-3H3,(H,22,23)(H,24,25)