4-bromanyl-3-methoxy-2,6-dinitro-5-oxidanyl-benzaldehyde

Systemtic Name: 4-bromanyl-3-methoxy-2,6-dinitro-5-oxidanyl-benzaldehyde Openeye Name: 4-bromo-3-hydroxy-5-methoxy-2,6-dinitro-benzaldehyde CAS Name: 4-bromo-3-hydroxy-5-methoxy-2,6-dinitrobenzaldehyde IUPAC Name: 4-bromo-3-hydroxy-5-methoxy-2,6-dinitrobenzaldehyde Traditional Name: 4-bromo-3-hydroxy-5-methoxy-2,6-dinitro-benzaldehyde Formula: C8H5BrN2O7 MolecularWeight: 321.0385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1Br)O)[N+](=O)[O-])C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C(=C1Br)O)[N+](=O)[O-])C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5BrN2O7/c1-18-8-4(9)7(13)5(10(14)15)3(2-12)6(8)11(16)17/h2,13H,1H3