(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN2O5/c20-16-8-7-15(11-17(16)22(25)26)19(24)27-12-13-3-5-14(6-4-13)18(23)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2