(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H14BrClN2O4S MolecularWeight: 469.73676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN2O4S/c19-11-3-6-16(14(9-11)17(27)21-7-1-2-8-21)26-18(23)13-5-4-12(22(24)25)10-15(13)20/h3-6,9-10H,1-2,7-8H2