5-[4-[2,3-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-4-bromanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[2,3-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-4-bromanyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(2,3-dichlorophenyl)-oxomethyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(2,3-dichlorobenzoyl)piperazino]coumarilic acid Formula: C20H15BrCl2N2O4 MolecularWeight: 498.1541

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C20H15BrCl2N2O4/c21-17-12-10-16(20(27)28)29-15(12)5-4-14(17)24-6-8-25(9-7-24)19(26)11-2-1-3-13(22)18(11)23/h1-5,10H,6-9H2,(H,27,28)