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

Systemtic Name: 3-(hydroxymethyl)-1-(2-methoxyphenyl)-4,6-bis(oxidanylidene)-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(hydroxymethyl)-1-(2-methoxyphenyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(hydroxymethyl)-1-(2-methoxyphenyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-1-(2-methoxyphenyl)-4,6-dioxo-5-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-1-(2-methoxyphenyl)-3-methylol-5-propargyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC#C)C(N2)(CO)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC#C)C(N2)(CO)C(=O)O

InChI

InChI=1S/C18H18N2O6/c1-3-8-20-15(22)12-13(16(20)23)18(9-21,17(24)25)19-14(12)10-6-4-5-7-11(10)26-2/h1,4-7,12-14,19,21H,8-9H2,2H3,(H,24,25)