methyl 2-(bromomethyl)-4-nitro-benzoate; methyl 2-(bromomethyl)-6-nitro-benzoate

Systemtic Name: methyl 2-(bromomethyl)-4-nitro-benzoate; methyl 2-(bromomethyl)-6-nitro-benzoate Openeye Name: methyl 2-(bromomethyl)-4-nitro-benzoate; methyl 2-(bromomethyl)-6-nitro-benzoate CAS Name: 2-(bromomethyl)-4-nitrobenzoic acid methyl ester; 2-(bromomethyl)-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(bromomethyl)-4-nitrobenzoate; methyl 2-(bromomethyl)-6-nitrobenzoate Traditional Name: 2-(bromomethyl)-4-nitro-benzoic acid methyl ester; 2-(bromomethyl)-6-nitro-benzoic acid methyl ester Formula: C18H16Br2N2O8 MolecularWeight: 548.13624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CBr.COC(=O)C1=C(C=CC=C1[N+](=O)[O-])CBr

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CBr.COC(=O)C1=C(C=CC=C1[N+](=O)[O-])CBr

InChI

InChI=1S/2C9H8BrNO4/c1-15-9(12)8-3-2-7(11(13)14)4-6(8)5-10;1-15-9(12)8-6(5-10)3-2-4-7(8)11(13)14/h2*2-4H,5H2,1H3