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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-methoxy-3-nitro-benzoate Openeye Name: (4-chloro-3-methyl-phenyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (4-chloro-3-methyl-phenyl) ester Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO5/c1-9-7-11(4-5-12(9)16)22-15(18)10-3-6-14(21-2)13(8-10)17(19)20/h3-8H,1-2H3