(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S/c19-13-6-7-16(15(11-13)17(26)20-8-1-2-9-20)25-18(22)12-4-3-5-14(10-12)21(23)24/h3-7,10-11H,1-2,8-9H2