2-ethoxycarbonyl-4-nitro-3-phenyl-butanoate

Systemtic Name: 2-ethoxycarbonyl-4-nitro-3-phenyl-butanoate Openeye Name: 2-ethoxycarbonyl-4-nitro-3-phenyl-butanoate CAS Name: 2-ethoxycarbonyl-4-nitro-3-phenylbutanoate IUPAC Name: 2-ethoxycarbonyl-4-nitro-3-phenylbutanoate Traditional Name: 2-carbethoxy-4-nitro-3-phenyl-butyrate Formula: C13H14NO6- MolecularWeight: 280.25336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-2-20-13(17)11(12(15)16)10(8-14(18)19)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,15,16)/p-1