2-(3-methylphenyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-methylphenyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-(m-tolyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-methylphenyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-methylphenyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-(m-tolyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C22H13N3O5 MolecularWeight: 399.35572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5/c1-12-3-2-4-14(9-12)24-21(26)16-7-5-13(10-17(16)22(24)27)20-23-18-11-15(25(28)29)6-8-19(18)30-20/h2-11H,1H3