(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NN=NN3CCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NN=NN3CCC

InChI

InChI=1S/C18H21N5O4/c1-3-5-9-22-16(24)13-7-6-12(10-14(13)17(22)25)18(26)27-11-15-19-20-21-23(15)8-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3