ethyl 4-(4-chlorophenyl)carbonyl-3-nitro-5-oxidanyl-benzoate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-3-nitro-5-oxidanyl-benzoate Openeye Name: ethyl 4-(4-chlorobenzoyl)-3-hydroxy-5-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-3-hydroxy-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-3-hydroxy-5-nitrobenzoate Traditional Name: 4-(4-chlorobenzoyl)-3-hydroxy-5-nitro-benzoic acid ethyl ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO6/c1-2-24-16(21)10-7-12(18(22)23)14(13(19)8-10)15(20)9-3-5-11(17)6-4-9/h3-8,19H,2H2,1H3