2-[3-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-[3-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-[3-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[3-(6-bromo-4-keto-3,1-benzoxazin-2-yl)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C28H14BrN3O7 MolecularWeight: 584.33066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C5=NC6=C(C=C(C=C6)Br)C(=O)O5

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C5=NC6=C(C=C(C=C6)Br)C(=O)O5

InChI

InChI=1S/C28H14BrN3O7/c29-16-7-10-24-23(12-16)28(35)39-25(30-24)15-3-1-4-17(11-15)31-26(33)21-9-8-20(14-22(21)27(31)34)38-19-6-2-5-18(13-19)32(36)37/h1-14H