methyl 4-nitro-5-(3-nitrophenyl)-5-oxidanyl-pentanoate

Systemtic Name: methyl 4-nitro-5-(3-nitrophenyl)-5-oxidanyl-pentanoate Openeye Name: methyl 5-hydroxy-4-nitro-5-(3-nitrophenyl)pentanoate CAS Name: 5-hydroxy-4-nitro-5-(3-nitrophenyl)pentanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-4-nitro-5-(3-nitrophenyl)pentanoate Traditional Name: 5-hydroxy-4-nitro-5-(3-nitrophenyl)valeric acid methyl ester Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7/c1-21-11(15)6-5-10(14(19)20)12(16)8-3-2-4-9(7-8)13(17)18/h2-4,7,10,12,16H,5-6H2,1H3