2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-chloranyl-benzoic acid

Systemtic Name: 2-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-chloranyl-benzoic acid Openeye Name: 2-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-chloro-benzoic acid CAS Name: 2-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-chlorobenzoic acid Traditional Name: 2-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-chloro-benzoic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN2O5/c1-2-3-8-23-18(25)13-6-4-11(9-15(13)19(23)26)17(24)22-16-10-12(21)5-7-14(16)20(27)28/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)(H,27,28)