5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-[4-(4-nitrophenyl)sulfanylphenyl]isoindole-1,3-dione Traditional Name: 5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-1,3-quinone Formula: C30H19N3O8S MolecularWeight: 581.55216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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-])OC

Isomeric SMILES

COC1=C(C=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-])OC

InChI

InChI=1S/C30H19N3O8S/c1-39-25-14-23-24(15-26(25)40-2)31-27(41-30(23)36)16-3-12-21-22(13-16)29(35)32(28(21)34)17-4-8-19(9-5-17)42-20-10-6-18(7-11-20)33(37)38/h3-15H,1-2H3