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

Systemtic Name: (3-piperidin-1-ylcarbothioylphenyl) 2,4-dinitrobenzoate Openeye Name: [3-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [3-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(piperidine-1-carbothioyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [3-(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=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c23-19(16-8-7-14(21(24)25)12-17(16)22(26)27)28-15-6-4-5-13(11-15)18(29)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2