methyl 2,4-bis(4-nitrophenyl)butanoate

Systemtic Name: methyl 2,4-bis(4-nitrophenyl)butanoate Openeye Name: methyl 2,4-bis(4-nitrophenyl)butanoate CAS Name: 2,4-bis(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 2,4-bis(4-nitrophenyl)butanoate Traditional Name: 2,4-bis(4-nitrophenyl)butyric acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-25-17(20)16(13-5-9-15(10-6-13)19(23)24)11-4-12-2-7-14(8-3-12)18(21)22/h2-3,5-10,16H,4,11H2,1H3