methyl 3-bromanyl-2-methyl-6-nitro-benzoate

Systemtic Name: methyl 3-bromanyl-2-methyl-6-nitro-benzoate Openeye Name: methyl 3-bromo-2-methyl-6-nitro-benzoate CAS Name: 3-bromo-2-methyl-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-methyl-6-nitrobenzoate Traditional Name: 3-bromo-2-methyl-6-nitro-benzoic acid methyl ester Formula: C9H8BrNO4 MolecularWeight: 274.06812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C9H8BrNO4/c1-5-6(10)3-4-7(11(13)14)8(5)9(12)15-2/h3-4H,1-2H3