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

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 2,4-dinitrobenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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