2-(cyanomethyl)-4-ethoxy-2-(4-nitrophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(cyanomethyl)-4-ethoxy-2-(4-nitrophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyanomethyl)-4-ethoxy-2-(4-nitrophenyl)-4-oxo-butanoic acid CAS Name: 2-(cyanomethyl)-4-ethoxy-2-(4-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 2-(cyanomethyl)-4-ethoxy-2-(4-nitrophenyl)-4-oxobutanoic acid Traditional Name: 2-(cyanomethyl)-4-ethoxy-4-keto-2-(4-nitrophenyl)butyric acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-2-22-12(17)9-14(7-8-15,13(18)19)10-3-5-11(6-4-10)16(20)21/h3-6H,2,7,9H2,1H3,(H,18,19)