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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C14H15ClN4O4S MolecularWeight: 370.8113

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C14H15ClN4O4S/c1-3-18(4-2)12-6-5-9(19(21)22)7-10(12)14(20)23-8-11-13(15)24-17-16-11/h5-7H,3-4,8H2,1-2H3