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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-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)C(=O)OCC2=C(SN=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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