methyl 3-bromanyl-5-methoxy-4-methyl-2,6-dinitro-benzoate

Systemtic Name: methyl 3-bromanyl-5-methoxy-4-methyl-2,6-dinitro-benzoate Openeye Name: methyl 3-bromo-5-methoxy-4-methyl-2,6-dinitro-benzoate CAS Name: 3-bromo-5-methoxy-4-methyl-2,6-dinitrobenzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methoxy-4-methyl-2,6-dinitrobenzoate Traditional Name: 3-bromo-5-methoxy-4-methyl-2,6-dinitro-benzoic acid methyl ester Formula: C10H9BrN2O7 MolecularWeight: 349.09166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=C(C(=C1Br)[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C10H9BrN2O7/c1-4-6(11)7(12(15)16)5(10(14)20-3)8(13(17)18)9(4)19-2/h1-3H3