(2-piperidin-1-ylcarbothioylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-piperidin-1-ylcarbothioylphenyl) 3,5-dinitrobenzoate Openeye Name: [2-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-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=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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