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

Systemtic Name: 3-methyl-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-methyl-5-(3-nitrophenyl)-4,6-dioxo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-methyl-5-(3-nitrophenyl)-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-methyl-5-(3-nitrophenyl)-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-methyl-5-(3-nitrophenyl)-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(C2C(C(N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H15N3O6S/c1-18(17(24)25)13-12(14(19-18)11-6-3-7-28-11)15(22)20(16(13)23)9-4-2-5-10(8-9)21(26)27/h2-8,12-14,19H,1H3,(H,24,25)