methyl 4-[(2-bromanyl-4-nitro-phenyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[(2-bromanyl-4-nitro-phenyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-(2-bromo-4-nitro-anilino)-3,5-dinitro-benzoate CAS Name: 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoate Traditional Name: 4-(2-bromo-4-nitro-anilino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H9BrN4O8 MolecularWeight: 441.14726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C14H9BrN4O8/c1-27-14(20)7-4-11(18(23)24)13(12(5-7)19(25)26)16-10-3-2-8(17(21)22)6-9(10)15/h2-6,16H,1H3