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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C11H8ClN3O4S MolecularWeight: 313.71692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C11H8ClN3O4S/c1-6-3-2-4-7(9(6)15(17)18)11(16)19-5-8-10(12)20-14-13-8/h2-4H,5H2,1H3