[2-methoxy-5-nitro-4-(2-nitro-1-oxidanyl-ethyl)phenyl] ethanoate

Systemtic Name: [2-methoxy-5-nitro-4-(2-nitro-1-oxidanyl-ethyl)phenyl] ethanoate Openeye Name: [4-(1-hydroxy-2-nitro-ethyl)-2-methoxy-5-nitro-phenyl] acetate CAS Name: acetic acid [4-(1-hydroxy-2-nitroethyl)-2-methoxy-5-nitrophenyl] ester IUPAC Name: [4-(1-hydroxy-2-nitroethyl)-2-methoxy-5-nitrophenyl] acetate Traditional Name: acetic acid [4-(1-hydroxy-2-nitro-ethyl)-2-methoxy-5-nitro-phenyl] ester Formula: C11H12N2O8 MolecularWeight: 300.22158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])O)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(C[N+](=O)[O-])O)OC

InChI

InChI=1S/C11H12N2O8/c1-6(14)21-11-4-8(13(18)19)7(3-10(11)20-2)9(15)5-12(16)17/h3-4,9,15H,5H2,1-2H3