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

Systemtic Name: (4-propanoylphenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (4-propanoylphenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (4-propionylphenyl) ester Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO5/c1-2-15(19)10-3-6-12(7-4-10)23-16(20)13-8-5-11(18(21)22)9-14(13)17/h3-9H,2H2,1H3