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

Systemtic Name: 2-ethoxycarbonyl-2-methyl-4-nitro-3-phenyl-butanoate Openeye Name: 2-ethoxycarbonyl-2-methyl-4-nitro-3-phenyl-butanoate CAS Name: 2-ethoxycarbonyl-2-methyl-4-nitro-3-phenylbutanoate IUPAC Name: 2-ethoxycarbonyl-2-methyl-4-nitro-3-phenylbutanoate Traditional Name: 2-carbethoxy-2-methyl-4-nitro-3-phenyl-butyrate Formula: C14H16NO6- MolecularWeight: 294.27994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-3-21-13(18)14(2,12(16)17)11(9-15(19)20)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,17)/p-1