1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3(C4C(C(N3)C5=CC=C(C=C5)C#N)C(=O)NC4=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3(C4C(C(N3)C5=CC=C(C=C5)C#N)C(=O)NC4=O)C(=O)O

InChI

InChI=1S/C23H18N4O4/c24-10-12-5-7-13(8-6-12)19-17-18(21(29)26-20(17)28)23(27-19,22(30)31)9-14-11-25-16-4-2-1-3-15(14)16/h1-8,11,17-19,25,27H,9H2,(H,30,31)(H,26,28,29)