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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H16ClN3O7S MolecularWeight: 477.87494

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7S/c1-11(25)22-20-23-14(10-32-20)9-30-19(26)12-3-5-17(18(7-12)29-2)31-16-6-4-13(21)8-15(16)24(27)28/h3-8,10H,9H2,1-2H3,(H,22,23,25)