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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO4/c1-9-3-4-11(8-13(9)17(19)20)15(18)21-14-6-5-12(16)7-10(14)2/h3-8H,1-2H3