ethyl 3-[[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-fluoro-3-(2-oxo-1-pyrrolidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-fluoro-3-(2-ketopyrrolidino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H18FN3O6 MolecularWeight: 415.371823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O6/c1-2-30-20(27)13-8-12(9-15(10-13)24(28)29)19(26)22-14-5-6-16(21)17(11-14)23-7-3-4-18(23)25/h5-6,8-11H,2-4,7H2,1H3,(H,22,26)