2-butyl-5-isocyanato-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-isocyanato-isoindole-1,3-dione Openeye Name: 2-butyl-5-isocyanato-isoindoline-1,3-dione CAS Name: 2-butyl-5-isocyanatoisoindole-1,3-dione IUPAC Name: 2-butyl-5-isocyanatoisoindole-1,3-dione Traditional Name: 2-butyl-5-isocyanato-isoindoline-1,3-quinone Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=O

InChI

InChI=1S/C13H12N2O3/c1-2-3-6-15-12(17)10-5-4-9(14-8-16)7-11(10)13(15)18/h4-5,7H,2-3,6H2,1H3