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

Systemtic Name: methyl 4-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: methyl 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-5-nitro-1,3-benzoxazol-3-yl)butyric acid methyl ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

COC(=O)CCCN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C12H12N2O6/c1-19-11(15)3-2-6-13-9-7-8(14(17)18)4-5-10(9)20-12(13)16/h4-5,7H,2-3,6H2,1H3