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

Systemtic Name: 2-(3-methylbutyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-isopentyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-methylbutyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-methylbutyl)-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-isoamyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-11(2)7-8-22-19(24)14-5-3-12(9-15(14)20(22)25)18-21-16-10-13(23(26)27)4-6-17(16)28-18/h3-6,9-11H,7-8H2,1-2H3