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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C19H14ClN3O6S MolecularWeight: 447.84896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O6S/c1-11(24)21-19-22-14(10-30-19)9-28-18(25)12-2-5-15(6-3-12)29-17-7-4-13(20)8-16(17)23(26)27/h2-8,10H,9H2,1H3,(H,21,22,24)