5-methoxy-4-nitro-5-oxidanylidene-3-phenyl-pentanoic acid

Systemtic Name: 5-methoxy-4-nitro-5-oxidanylidene-3-phenyl-pentanoic acid Openeye Name: 5-methoxy-4-nitro-5-oxo-3-phenyl-pentanoic acid CAS Name: 5-methoxy-4-nitro-5-oxo-3-phenylpentanoic acid IUPAC Name: 5-methoxy-4-nitro-5-oxo-3-phenylpentanoic acid Traditional Name: 5-keto-5-methoxy-4-nitro-3-phenyl-valeric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC(=O)O)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C(CC(=O)O)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-19-12(16)11(13(17)18)9(7-10(14)15)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,14,15)