2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-(4-methylthiazol-5-yl)ethyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2-(4-methyl-5-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-(4-methylthiazol-5-yl)ethyl ester Formula: C13H11ClN2O4S MolecularWeight: 326.75544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4S/c1-8-12(21-7-15-8)4-5-20-13(17)9-2-3-10(14)11(6-9)16(18)19/h2-3,6-7H,4-5H2,1H3