(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C15H11BrClNO4 MolecularWeight: 384.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrClNO4/c1-8-3-4-10(6-13(8)18(20)21)15(19)22-14-9(2)5-11(16)7-12(14)17/h3-7H,1-2H3