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

Systemtic Name: 5-chloranyl-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-(4-methyl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O4/c1-8-2-4-10(7-13(8)18(21)22)17-14(19)11-5-3-9(16)6-12(11)15(17)20/h2-4,7,11-12H,5-6H2,1H3