(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O5S/c1-20-11-18-19-17(20)28-14-6-5-12(9-13(14)22(25)26)16(24)27-10-15(23)21-7-3-2-4-8-21/h5-6,9,11H,2-4,7-8,10H2,1H3