1,3-benzodioxol-5-yl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C18H14N2O8 MolecularWeight: 386.31236

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H14N2O8/c21-17(27-12-4-6-14-16(9-12)26-10-25-14)2-1-7-19-13-5-3-11(20(23)24)8-15(13)28-18(19)22/h3-6,8-9H,1-2,7,10H2