(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-chloranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(4-chloranylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-5-thiazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-methyl-thiazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)Cl)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6S/c1-11-18(31-17(23-11)10-29-15-6-4-14(21)5-7-15)20(26)30-9-13-3-2-12(19(22)25)8-16(13)24(27)28/h2-8H,9-10H2,1H3,(H2,22,25)