2-(2-methyl-3-nitro-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-3-nitro-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(2-methyl-3-nitro-phenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(2-methyl-3-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(2-methyl-3-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(2-methyl-3-nitro-phenyl)isoindoline-1,3-quinone Formula: C23H13N3O6 MolecularWeight: 427.36582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C23H13N3O6/c1-12-18(7-4-8-19(12)26(30)31)25-21(27)14-10-9-13(11-16(14)22(25)28)20-24-17-6-3-2-5-15(17)23(29)32-20/h2-11H,1H3