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

Systemtic Name: methyl 2,4-bis(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2,4-bis(4-nitrophenyl)-4-oxo-butanoate CAS Name: 2,4-bis(4-nitrophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2,4-bis(4-nitrophenyl)-4-oxobutanoate Traditional Name: 4-keto-2,4-bis(4-nitrophenyl)butyric acid methyl ester Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c1-26-17(21)15(11-2-6-13(7-3-11)18(22)23)10-16(20)12-4-8-14(9-5-12)19(24)25/h2-9,15H,10H2,1H3