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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H14ClN3O6S MolecularWeight: 459.85966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O6S/c1-11(25)22-20-23-13(10-31-20)9-30-19(27)15-5-3-2-4-14(15)18(26)12-6-7-16(21)17(8-12)24(28)29/h2-8,10H,9H2,1H3,(H,22,23,25)