2-[4-(4-nitrophenyl)sulfanylphenyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-[4-[(4-nitrophenyl)thio]phenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-1,3-quinone Formula: C28H15N3O6S MolecularWeight: 521.5002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)SC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H15N3O6S/c32-26-21-14-5-16(25-29-24-4-2-1-3-22(24)28(34)37-25)15-23(21)27(33)30(26)17-6-10-19(11-7-17)38-20-12-8-18(9-13-20)31(35)36/h1-15H