3-[[4-chloranyl-1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid

Systemtic Name: 3-[[4-chloranyl-1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid Openeye Name: 3-[[4-chloro-1-(4-iodophenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoic acid CAS Name: 3-[[4-chloro-1-(4-iodophenyl)-2,5-dioxo-3-pyrrolyl]amino]benzoic acid IUPAC Name: 3-[[4-chloro-1-(4-iodophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid Traditional Name: 3-[[4-chloro-1-(4-iodophenyl)-2,5-diketo-3-pyrrolin-3-yl]amino]benzoic acid Formula: C17H10ClIN2O4 MolecularWeight: 468.62977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl)C(=O)O

InChI

InChI=1S/C17H10ClIN2O4/c18-13-14(20-11-3-1-2-9(8-11)17(24)25)16(23)21(15(13)22)12-6-4-10(19)5-7-12/h1-8,20H,(H,24,25)