(2-piperidin-1-ylcarbothioylphenyl) 2,4-dinitrobenzoate

Systemtic Name: (2-piperidin-1-ylcarbothioylphenyl) 2,4-dinitrobenzoate Openeye Name: [2-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c23-19(14-9-8-13(21(24)25)12-16(14)22(26)27)28-17-7-3-2-6-15(17)18(29)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2