4,5-dimethoxy-2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8/c1-10-4-5-14(13(6-10)20(24)25)28-9-17(21)19-12-8-16(27-3)15(26-2)7-11(12)18(22)23/h4-8H,9H2,1-3H3,(H,19,21)(H,22,23)