2-[4-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(5-oxo-4-phenyl-tetrazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(5-oxo-4-phenyl-1-tetrazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-oxo-4-phenyltetrazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(5-keto-4-phenyl-tetrazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H17N5O3/c25-17-15-10-4-5-11-16(15)18(26)22(17)12-6-7-13-23-19(27)24(21-20-23)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2