(4-aminocarbonyl-2-nitro-phenyl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O6/c20-14-6-5-12(9-16(14)22-7-1-2-17(22)24)19(26)29-10-13-4-3-11(18(21)25)8-15(13)23(27)28/h3-6,8-9H,1-2,7,10H2,(H2,21,25)