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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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