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

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

COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OCCCOC2=C(C=C(C(=C2OC)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OCCCOC2=C(C=C(C(=C2OC)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C21H22N2O14/c1-32-12-8-10(20(24)25)14(22(28)29)18(34-3)16(12)36-6-5-7-37-17-13(33-2)9-11(21(26)27)15(23(30)31)19(17)35-4/h8-9H,5-7H2,1-4H3,(H,24,25)(H,26,27)