2-ethoxycarbonyl-3-(1-fluoranylcyclohexa-2,4-dien-1-yl)-4-nitro-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-3-(1-fluoranylcyclohexa-2,4-dien-1-yl)-4-nitro-butanoic acid Openeye Name: 2-ethoxycarbonyl-3-(1-fluorocyclohexa-2,4-dien-1-yl)-4-nitro-butanoic acid CAS Name: 2-ethoxycarbonyl-3-(1-fluoro-1-cyclohexa-2,4-dienyl)-4-nitrobutanoic acid IUPAC Name: 2-ethoxycarbonyl-3-(1-fluorocyclohexa-2,4-dien-1-yl)-4-nitrobutanoic acid Traditional Name: 2-carbethoxy-3-(1-fluorocyclohexa-2,4-dien-1-yl)-4-nitro-butyric acid Formula: C13H16FNO6 MolecularWeight: 301.267643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO6/c1-2-21-12(18)10(11(16)17)9(8-15(19)20)13(14)6-4-3-5-7-13/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)