methyl 4-nitro-3-(3-nitrophenyl)butanoate

Systemtic Name: methyl 4-nitro-3-(3-nitrophenyl)butanoate Openeye Name: methyl 4-nitro-3-(3-nitrophenyl)butanoate CAS Name: 4-nitro-3-(3-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-nitro-3-(3-nitrophenyl)butanoate Traditional Name: 4-nitro-3-(3-nitrophenyl)butyric acid methyl ester Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-19-11(14)6-9(7-12(15)16)8-3-2-4-10(5-8)13(17)18/h2-5,9H,6-7H2,1H3