3-(carboxymethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-1-(o-tolyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-1-(2-methylphenyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-1-(2-methylphenyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-4,6-diketo-1-(o-tolyl)-5-propargyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC#C)C(N2)(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC#C)C(N2)(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O6/c1-3-8-21-16(24)13-14(17(21)25)19(18(26)27,9-12(22)23)20-15(13)11-7-5-4-6-10(11)2/h1,4-7,13-15,20H,8-9H2,2H3,(H,22,23)(H,26,27)