3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-5-(2-phenoxyethyl)-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-(2-phenoxyethyl)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)methyl]-4,6-dioxo-5-(2-phenoxyethyl)-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-(2-phenoxyethyl)-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-(2-phenoxyethyl)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-(4-nitrobenzyl)-5-(2-phenoxyethyl)-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H22N4O7S MolecularWeight: 522.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C(=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)OCCN2C(=O)C3C(C2=O)C(NC3C4=NC=CS4)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H22N4O7S/c30-22-18-19(23(31)28(22)11-12-36-17-4-2-1-3-5-17)25(24(32)33,27-20(18)21-26-10-13-37-21)14-15-6-8-16(9-7-15)29(34)35/h1-10,13,18-20,27H,11-12,14H2,(H,32,33)