2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(6-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5/c25-20-15-8-6-12(10-16(15)21(26)23(20)13-4-2-1-3-5-13)19-22-17-9-7-14(24(27)28)11-18(17)29-19/h6-11,13H,1-5H2