(2-phenyl-1,3-thiazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H17N3O6S/c25-19(29-12-15-13-31-20(22-15)14-5-2-1-3-6-14)7-4-10-23-17-9-8-16(24(27)28)11-18(17)30-21(23)26/h1-3,5-6,8-9,11,13H,4,7,10,12H2