2-bromanyl-4-methoxy-1,3,5-trinitro-benzene

Systemtic Name: 2-bromanyl-4-methoxy-1,3,5-trinitro-benzene Openeye Name: 2-bromo-4-methoxy-1,3,5-trinitro-benzene CAS Name: 2-bromo-4-methoxy-1,3,5-trinitrobenzene IUPAC Name: 2-bromo-4-methoxy-1,3,5-trinitrobenzene Traditional Name: 2-bromo-4-methoxy-1,3,5-trinitro-benzene Formula: C7H4BrN3O7 MolecularWeight: 322.02656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C7H4BrN3O7/c1-18-7-4(10(14)15)2-3(9(12)13)5(8)6(7)11(16)17/h2H,1H3