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

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-methyl-benzoic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C20H16N2O5/c1-3-8-22-18(24)14-6-4-12(10-15(14)19(22)25)17(23)21-16-7-5-13(20(26)27)9-11(16)2/h3-7,9-10H,1,8H2,2H3,(H,21,23)(H,26,27)