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

Systemtic Name: octan-2-yl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: 1-methylheptyl 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 octan-2-yl ester IUPAC Name: octan-2-yl 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 1-methylheptyl ester Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=C2N=NN(C(=O)N2C=N1)C

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=C2N=NN(C(=O)N2C=N1)C

InChI

InChI=1S/C14H21N5O3/c1-4-5-6-7-8-10(2)22-13(20)11-12-16-17-18(3)14(21)19(12)9-15-11/h9-10H,4-8H2,1-3H3