4-[1-(4-carboxy-2,6-dimethoxy-3-nitro-phenoxy)propoxy]-3,5-dimethoxy-2-nitro-benzoic acid

Systemtic Name: 4-[1-(4-carboxy-2,6-dimethoxy-3-nitro-phenoxy)propoxy]-3,5-dimethoxy-2-nitro-benzoic acid Openeye Name: 4-[1-(4-carboxy-2,6-dimethoxy-3-nitro-phenoxy)propoxy]-3,5-dimethoxy-2-nitro-benzoic acid CAS Name: 4-[1-(4-carboxy-2,6-dimethoxy-3-nitrophenoxy)propoxy]-3,5-dimethoxy-2-nitrobenzoic acid IUPAC Name: 4-[1-(4-carboxy-2,6-dimethoxy-3-nitrophenoxy)propoxy]-3,5-dimethoxy-2-nitrobenzoic acid Traditional Name: 4-[1-(4-carboxy-2,6-dimethoxy-3-nitro-phenoxy)propoxy]-3,5-dimethoxy-2-nitro-benzoic acid Formula: C21H22N2O14 MolecularWeight: 526.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C(=C1OC)[N+](=O)[O-])C(=O)O)OC)OC2=C(C=C(C(=C2OC)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

CCC(OC1=C(C=C(C(=C1OC)[N+](=O)[O-])C(=O)O)OC)OC2=C(C=C(C(=C2OC)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C21H22N2O14/c1-6-13(36-16-11(32-2)7-9(20(24)25)14(22(28)29)18(16)34-4)37-17-12(33-3)8-10(21(26)27)15(23(30)31)19(17)35-5/h7-8,13H,6H2,1-5H3,(H,24,25)(H,26,27)