(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c1-10-4-6-20(7-5-10)13-3-2-11(8-14(13)21(23)24)16(22)25-9-12-15(17)26-19-18-12/h2-3,8,10H,4-7,9H2,1H3