(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C16H11ClN2O5S MolecularWeight: 378.78694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O5S/c1-9-13(18-15(24-9)14-3-2-6-25-14)8-23-16(20)11-7-10(19(21)22)4-5-12(11)17/h2-7H,8H2,1H3