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

Systemtic Name: 2-(2-chloranylphenoxy)ethyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: 2-(2-chlorophenoxy)ethyl 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-(2-chlorophenoxy)ethyl ester IUPAC Name: 2-(2-chlorophenoxy)ethyl 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-(2-chlorophenoxy)ethyl ester Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O7/c20-14-4-1-2-5-16(14)27-10-11-28-18(23)6-3-9-21-15-8-7-13(22(25)26)12-17(15)29-19(21)24/h1-2,4-5,7-8,12H,3,6,9-11H2