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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C11H9ClN4O4S MolecularWeight: 328.73156

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C11H9ClN4O4S/c1-13-8-3-2-6(16(18)19)4-7(8)11(17)20-5-9-10(12)21-15-14-9/h2-4,13H,5H2,1H3