[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-2-30-18-9-8-14(11-17(18)24(28)29)21(27)31-13-19(25)22-15-5-3-6-16(12-15)23-10-4-7-20(23)26/h3,5-6,8-9,11-12H,2,4,7,10,13H2,1H3,(H,22,25)