3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(3-phenylprop-2-enyl)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(3-phenylprop-2-enyl)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-cinnamyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(3-phenylprop-2-enyl)-1-(2-thiazolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(3-phenylprop-2-enyl)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-cinnamyl-4,6-diketo-3-(4-nitrobenzyl)-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C(=O)C3C(C2=O)C(NC3C4=NC=CS4)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C=CCN2C(=O)C3C(C2=O)C(NC3C4=NC=CS4)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H22N4O6S/c31-23-19-20(24(32)29(23)13-4-7-16-5-2-1-3-6-16)26(25(33)34,28-21(19)22-27-12-14-37-22)15-17-8-10-18(11-9-17)30(35)36/h1-12,14,19-21,28H,13,15H2,(H,33,34)