5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione

Systemtic Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione Openeye Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindoline-1,3-dione CAS Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(4-nitrophenyl)isoindoline-1,3-quinone Formula: C21H10N4O7 MolecularWeight: 430.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H10N4O7/c26-20-15-7-1-11(19-22-17-10-14(25(30)31)6-8-18(17)32-19)9-16(15)21(27)23(20)12-2-4-13(5-3-12)24(28)29/h1-10H