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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O4S/c1-2-12-15-9(7-21-12)6-20-13(17)10-4-3-8(14)5-11(10)16(18)19/h3-5,7H,2,6H2,1H3