(2-acetamido-1,3-thiazol-4-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C14H13N3O5S/c1-8-4-3-5-11(17(20)21)12(8)13(19)22-6-10-7-23-14(16-10)15-9(2)18/h3-5,7H,6H2,1-2H3,(H,15,16,18)