(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H16BrN3O6S MolecularWeight: 494.31584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O6S/c20-13-4-5-17(16(10-13)18(30)21-6-2-1-3-7-21)29-19(24)12-8-14(22(25)26)11-15(9-12)23(27)28/h4-5,8-11H,1-3,6-7H2