[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN2O5S/c1-12-3-2-4-16(22(24)25)18(12)19(23)27-9-14-11-28-17(21-14)10-26-15-7-5-13(20)6-8-15/h2-8,11H,9-10H2,1H3