(4-bromanyl-2-chloranyl-phenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-bromo-2-chloro-phenyl) ester Formula: C14H9BrClNO4 MolecularWeight: 370.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9BrClNO4/c1-8-2-3-9(6-12(8)17(19)20)14(18)21-13-5-4-10(15)7-11(13)16/h2-7H,1H3