1-(4-chloranyl-3-nitro-phenyl)-4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-chloro-3-nitro-phenyl)-4,6-dioxo-5-[2-(2-pyridyl)ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-chloro-3-nitrophenyl)-4,6-dioxo-5-[2-(2-pyridinyl)ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-chloro-3-nitrophenyl)-4,6-dioxo-5-(2-pyridin-2-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-chloro-3-nitro-phenyl)-4,6-diketo-5-[2-(2-pyridyl)ethyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H17ClN4O6/c21-12-5-4-10(9-13(12)25(30)31)16-14-15(17(23-16)20(28)29)19(27)24(18(14)26)8-6-11-3-1-2-7-22-11/h1-5,7,9,14-17,23H,6,8H2,(H,28,29)