3-(5-methoxy-2-nitro-phenyl)-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-(5-methoxy-2-nitro-phenyl)-4-oxidanylidene-pentanoic acid Openeye Name: 3-(5-methoxy-2-nitro-phenyl)-4-oxo-pentanoic acid CAS Name: 3-(5-methoxy-2-nitrophenyl)-4-oxopentanoic acid IUPAC Name: 3-(5-methoxy-2-nitrophenyl)-4-oxopentanoic acid Traditional Name: 4-keto-3-(5-methoxy-2-nitro-phenyl)valeric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-7(14)9(6-12(15)16)10-5-8(19-2)3-4-11(10)13(17)18/h3-5,9H,6H2,1-2H3,(H,15,16)