4,5-dimethoxy-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoate IUPAC Name: 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-4,5-dimethoxy-benzoate Formula: C19H14N3O9- MolecularWeight: 428.32916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CN2C(=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)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H15N3O9/c1-30-14-6-12(19(26)27)13(7-15(14)31-2)20-16(23)8-21-17(24)10-4-3-9(22(28)29)5-11(10)18(21)25/h3-7H,8H2,1-2H3,(H,20,23)(H,26,27)/p-1