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

Systemtic Name: methyl 3-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: methyl 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid methyl ester IUPAC Name: methyl 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 3-(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:

CC(CC(=O)OC)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(CC(=O)OC)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C12H12N2O6/c1-7(5-11(15)19-2)13-9-6-8(14(17)18)3-4-10(9)20-12(13)16/h3-4,6-7H,5H2,1-2H3