4-(4-chlorophenyl)carbonyl-3-nitro-5-phenylmethoxy-benzoic acid

Systemtic Name: 4-(4-chlorophenyl)carbonyl-3-nitro-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-4-(4-chlorobenzoyl)-5-nitro-benzoic acid CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-3-nitro-5-phenylmethoxybenzoic acid IUPAC Name: 4-(4-chlorobenzoyl)-3-nitro-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-4-(4-chlorobenzoyl)-5-nitro-benzoic acid Formula: C21H14ClNO6 MolecularWeight: 411.79196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H14ClNO6/c22-16-8-6-14(7-9-16)20(24)19-17(23(27)28)10-15(21(25)26)11-18(19)29-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,26)