5-chloranyl-2-(4-nitro-2-oxidanyl-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-(4-nitro-2-oxidanyl-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-(2-hydroxy-4-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-(2-hydroxy-4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-(2-hydroxy-4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-(2-hydroxy-4-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C14H11ClN2O5 MolecularWeight: 322.70054

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1C=C(CC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C14H11ClN2O5/c15-7-1-3-9-10(5-7)14(20)16(13(9)19)11-4-2-8(17(21)22)6-12(11)18/h1-2,4,6,9-10,18H,3,5H2