1-(4-chloranyl-3-nitro-phenyl)-4,6-bis(oxidanylidene)-5-phenethyl-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-phenethyl-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-phenethyl-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-phenethyl-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-phenethyl-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-phenethyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c22-13-7-6-12(10-14(13)25(30)31)17-15-16(18(23-17)21(28)29)20(27)24(19(15)26)9-8-11-4-2-1-3-5-11/h1-7,10,15-18,23H,8-9H2,(H,28,29)