octyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: octyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: octyl 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxylic acid octyl ester IUPAC Name: octyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid octyl ester Formula: C14H21N5O3 MolecularWeight: 307.34824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C2N=NN(C(=O)N2C=N1)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C2N=NN(C(=O)N2C=N1)C

InChI

InChI=1S/C14H21N5O3/c1-3-4-5-6-7-8-9-22-13(20)11-12-16-17-18(2)14(21)19(12)10-15-11/h10H,3-9H2,1-2H3