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

Systemtic Name: 1-(2-cyanophenyl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-3-(hydroxymethyl)-4,6-dioxo-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)-3-(hydroxymethyl)-4,6-dioxo-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-cyanophenyl)-3-(hydroxymethyl)-4,6-dioxo-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-cyanophenyl)-4,6-diketo-3-methylol-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C#N)(CO)C(=O)O

Isomeric SMILES

CCCOCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C#N)(CO)C(=O)O

InChI

InChI=1S/C20H23N3O6/c1-2-8-29-9-7-23-17(25)14-15(18(23)26)20(11-24,19(27)28)22-16(14)13-6-4-3-5-12(13)10-21/h3-6,14-16,22,24H,2,7-9,11H2,1H3,(H,27,28)