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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-chloro-benzoic acid Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H13ClN2O5/c1-2-7-22-17(24)12-5-3-10(8-13(12)18(22)25)16(23)21-15-9-11(19(26)27)4-6-14(15)20/h2-6,8-9H,1,7H2,(H,21,23)(H,26,27)