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

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 3,5-dinitrobenzoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S/c1-29-17-6-5-13(19(31)21-7-3-2-4-8-21)11-18(17)30-20(24)14-9-15(22(25)26)12-16(10-14)23(27)28/h5-6,9-12H,2-4,7-8H2,1H3