4-ethoxy-3-(4-nitrophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-ethoxy-3-(4-nitrophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-ethoxy-3-(4-nitrophenyl)-4-oxo-butanoic acid CAS Name: 4-ethoxy-3-(4-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 4-ethoxy-3-(4-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-ethoxy-4-keto-3-(4-nitrophenyl)butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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