(2-acetamido-1,3-thiazol-4-yl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C13H10ClN3O5S MolecularWeight: 355.7536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O5S/c1-7(18)15-13-16-8(6-23-13)5-22-12(19)10-3-2-9(17(20)21)4-11(10)14/h2-4,6H,5H2,1H3,(H,15,16,18)