4,5-dimethoxy-2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]-4,5-dimethoxy-benzoic acid Formula: C20H17N3O9 MolecularWeight: 443.36368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O9/c1-31-15-8-13(20(27)28)14(9-16(15)32-2)21-17(24)5-6-22-18(25)11-4-3-10(23(29)30)7-12(11)19(22)26/h3-4,7-9H,5-6H2,1-2H3,(H,21,24)(H,27,28)