2-(2-chloranyl-3-oxidanylidene-6-piperazin-1-yl-xanthen-9-yl)benzoic acid

Systemtic Name: 2-(2-chloranyl-3-oxidanylidene-6-piperazin-1-yl-xanthen-9-yl)benzoic acid Openeye Name: 2-(2-chloro-3-oxo-6-piperazin-1-yl-xanthen-9-yl)benzoic acid CAS Name: 2-[2-chloro-3-oxo-6-(1-piperazinyl)-9-xanthenyl]benzoic acid IUPAC Name: 2-(2-chloro-3-oxo-6-piperazin-1-ylxanthen-9-yl)benzoic acid Traditional Name: 2-(2-chloro-3-keto-6-piperazino-xanthen-9-yl)benzoic acid Formula: C24H19ClN2O4 MolecularWeight: 434.87166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(C=C2)C(=C4C=C(C(=O)C=C4O3)Cl)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)C(=C4C=C(C(=O)C=C4O3)Cl)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C24H19ClN2O4/c25-19-12-18-22(13-20(19)28)31-21-11-14(27-9-7-26-8-10-27)5-6-17(21)23(18)15-3-1-2-4-16(15)24(29)30/h1-6,11-13,26H,7-10H2,(H,29,30)