2-(4-methylphenyl)carbonyl-6-nitro-4-phenylsulfanyl-isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)carbonyl-6-nitro-4-phenylsulfanyl-isoindole-1,3-dione Openeye Name: 2-(4-methylbenzoyl)-6-nitro-4-phenylsulfanyl-isoindoline-1,3-dione CAS Name: 2-[(4-methylphenyl)-oxomethyl]-6-nitro-4-(phenylthio)isoindole-1,3-dione IUPAC Name: 2-(4-methylbenzoyl)-6-nitro-4-phenylsulfanylisoindole-1,3-dione Traditional Name: 6-nitro-4-(phenylthio)-2-p-toluoyl-isoindoline-1,3-quinone Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3C2=O)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3C2=O)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O5S/c1-13-7-9-14(10-8-13)20(25)23-21(26)17-11-15(24(28)29)12-18(19(17)22(23)27)30-16-5-3-2-4-6-16/h2-12H,1H3