(4-ethylphenyl) 2-chloranyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClNO4/c1-2-10-3-6-12(7-4-10)21-15(18)13-8-5-11(17(19)20)9-14(13)16/h3-9H,2H2,1H3