2-chloranyl-5-nitro-benzoic acid; 1,2-diphenylethane-1,2-dione

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 1,2-diphenylethane-1,2-dione Openeye Name: 2-chloro-5-nitro-benzoic acid; 1,2-diphenylethane-1,2-dione CAS Name: 2-chloro-5-nitrobenzoic acid; 1,2-diphenylethane-1,2-dione IUPAC Name: 2-chloro-5-nitrobenzoic acid; 1,2-diphenylethane-1,2-dione Traditional Name: benzil; 2-chloro-5-nitro-benzoic acid Formula: C21H14ClNO6 MolecularWeight: 411.79196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O2.C7H4ClNO4/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-10H;1-3H,(H,10,11)