2-butyl-4-[4-(1,2,3,4-tetrazol-1-yl)phenoxy]isoindole-1,3-dione

Systemtic Name: 2-butyl-4-[4-(1,2,3,4-tetrazol-1-yl)phenoxy]isoindole-1,3-dione Openeye Name: 2-butyl-4-[4-(tetrazol-1-yl)phenoxy]isoindoline-1,3-dione CAS Name: 2-butyl-4-[4-(1-tetrazolyl)phenoxy]isoindole-1,3-dione IUPAC Name: 2-butyl-4-[4-(tetrazol-1-yl)phenoxy]isoindole-1,3-dione Traditional Name: 2-butyl-4-[4-(tetrazol-1-yl)phenoxy]isoindoline-1,3-quinone Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C19H17N5O3/c1-2-3-11-23-18(25)15-5-4-6-16(17(15)19(23)26)27-14-9-7-13(8-10-14)24-12-20-21-22-24/h4-10,12H,2-3,11H2,1H3