(2-chloranyl-5-methyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-nitrobenzoate Openeye Name: (2-chloro-5-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C14H10ClNO4 MolecularWeight: 291.6865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClNO4/c1-9-5-6-12(15)13(7-9)20-14(17)10-3-2-4-11(8-10)16(18)19/h2-8H,1H3