2-phenoxyethyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: 2-phenoxyethyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=C(C=C1)OCCOC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H18N2O7/c22-18(27-12-11-26-15-5-2-1-3-6-15)7-4-10-20-16-9-8-14(21(24)25)13-17(16)28-19(20)23/h1-3,5-6,8-9,13H,4,7,10-12H2