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

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O5S/c1-8-7-22-13(18)15(8)4-5-21-12(17)10-3-2-9(14)6-11(10)16(19)20/h2-3,6-7H,4-5H2,1H3