(3-nitro-4-propan-2-yloxy-phenyl) butanoate

Systemtic Name: (3-nitro-4-propan-2-yloxy-phenyl) butanoate Openeye Name: (4-isopropoxy-3-nitro-phenyl) butanoate CAS Name: butanoic acid (3-nitro-4-propan-2-yloxyphenyl) ester IUPAC Name: (3-nitro-4-propan-2-yloxyphenyl) butanoate Traditional Name: butyric acid (4-isopropoxy-3-nitro-phenyl) ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=C(C=C1)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC(=C(C=C1)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-4-5-13(15)19-10-6-7-12(18-9(2)3)11(8-10)14(16)17/h6-9H,4-5H2,1-3H3