5-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione

Systemtic Name: 5-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Openeye Name: 5-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindoline-1,3-dione CAS Name: 5-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindole-1,3-dione IUPAC Name: 5-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Traditional Name: 5-(4-keto-6-methyl-3,1-benzoxazin-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-1,3-quinone Formula: C29H17N3O6S MolecularWeight: 535.52678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(OC2=O)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

CC1=CC2=C(C=C1)N=C(OC2=O)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/C29H17N3O6S/c1-16-2-13-25-24(14-16)29(35)38-26(30-25)17-3-12-22-23(15-17)28(34)31(27(22)33)18-4-8-20(9-5-18)39-21-10-6-19(7-11-21)32(36)37/h2-15H,1H3