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

Systemtic Name: 2-butyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Openeye Name: 2-butyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-dione CAS Name: 2-butyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione IUPAC Name: 2-butyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(5-nitro-1,3-benzoxazol-2-yl)isoindoline-1,3-quinone Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c1-2-3-8-21-18(23)13-6-4-11(9-14(13)19(21)24)17-20-15-10-12(22(25)26)5-7-16(15)27-17/h4-7,9-10H,2-3,8H2,1H3