[2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O8/c1-30-17-10-15(16(24(28)29)11-18(17)31-2)21(27)32-12-19(25)22-13-5-7-14(8-6-13)23-9-3-4-20(23)26/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,25)