2-methoxy-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate

Systemtic Name: 2-methoxy-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate Openeye Name: 2-methoxy-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate CAS Name: 2-methoxy-2-methoxycarbonyl-4-nitro-3-phenylbutanoate IUPAC Name: 2-methoxy-2-methoxycarbonyl-4-nitro-3-phenylbutanoate Traditional Name: 2-carbomethoxy-2-methoxy-4-nitro-3-phenyl-butyrate Formula: C13H14NO7- MolecularWeight: 296.25276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-20-12(17)13(21-2,11(15)16)10(8-14(18)19)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,16)/p-1