methyl 3,5-dinitro-2-oxidanyl-4-piperazin-1-yl-benzoate

Systemtic Name: methyl 3,5-dinitro-2-oxidanyl-4-piperazin-1-yl-benzoate Openeye Name: methyl 2-hydroxy-3,5-dinitro-4-piperazin-1-yl-benzoate CAS Name: 2-hydroxy-3,5-dinitro-4-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3,5-dinitro-4-piperazin-1-ylbenzoate Traditional Name: 2-hydroxy-3,5-dinitro-4-piperazino-benzoic acid methyl ester Formula: C12H14N4O7 MolecularWeight: 326.26216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])N2CCNCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])N2CCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O7/c1-23-12(18)7-6-8(15(19)20)9(10(11(7)17)16(21)22)14-4-2-13-3-5-14/h6,13,17H,2-5H2,1H3