6,7-bis(chloranyl)-5-(4-nitrophenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-(4-nitrophenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(4-nitrobenzoyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-[(4-nitrophenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-(4-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(4-nitrobenzoyl)coumaran-2-carboxylic acid Formula: C16H9Cl2NO6 MolecularWeight: 382.15176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H9Cl2NO6/c17-12-10(14(20)7-1-3-9(4-2-7)19(23)24)5-8-6-11(16(21)22)25-15(8)13(12)18/h1-5,11H,6H2,(H,21,22)