pentyl 6-nitro-2-oxidanylidene-1,3-benzoxazole-3-carboxylate

Systemtic Name: pentyl 6-nitro-2-oxidanylidene-1,3-benzoxazole-3-carboxylate Openeye Name: pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate CAS Name: 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylic acid pentyl ester IUPAC Name: pentyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate Traditional Name: 2-keto-6-nitro-1,3-benzoxazole-3-carboxylic acid amyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-2-3-4-7-20-12(16)14-10-6-5-9(15(18)19)8-11(10)21-13(14)17/h5-6,8H,2-4,7H2,1H3