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

Systemtic Name: 5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-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: 5-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(2-thiazolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(4-nitrobenzyl)-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H21N7O8S MolecularWeight: 555.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=NC=CS4)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=NC=CS4)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O8S/c1-12-25-11-15(30(37)38)27(12)7-8-28-20(31)16-17(21(28)32)23(22(33)34,26-18(16)19-24-6-9-39-19)10-13-2-4-14(5-3-13)29(35)36/h2-6,9,11,16-18,26H,7-8,10H2,1H3,(H,33,34)