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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H15BrClN3O6 MolecularWeight: 496.6959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C19H15BrClN3O6/c20-13-9-12(24(28)29)4-6-15(13)22-17(25)10-30-19(27)11-3-5-14(21)16(8-11)23-7-1-2-18(23)26/h3-6,8-9H,1-2,7,10H2,(H,22,25)