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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O9/c1-30-14-7-11(20(27)32-3)12(8-15(14)31-2)21-16(24)9-22-18(25)10-5-4-6-13(23(28)29)17(10)19(22)26/h4-8H,9H2,1-3H3,(H,21,24)