(3-chloranyl-4-methyl-phenyl) 2-nitrobenzoate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 2-nitrobenzoate Openeye Name: (3-chloro-4-methyl-phenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3-chloro-4-methyl-phenyl) ester Formula: C14H10ClNO4 MolecularWeight: 291.6865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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