2-[2-(hexylamino)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate

Systemtic Name: 2-[2-(hexylamino)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate Openeye Name: 2-[2-(hexylamino)-4-methyl-thiazol-5-yl]ethyl nitrate CAS Name: nitric acid 2-[2-(hexylamino)-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-[2-(hexylamino)-4-methyl-1,3-thiazol-5-yl]ethyl nitrate Traditional Name: nitric acid 2-[2-(hexylamino)-4-methyl-thiazol-5-yl]ethyl ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=C(S1)CCO[N+](=O)[O-])C

Isomeric SMILES

CCCCCCNC1=NC(=C(S1)CCO[N+](=O)[O-])C

InChI

InChI=1S/C12H21N3O3S/c1-3-4-5-6-8-13-12-14-10(2)11(19-12)7-9-18-15(16)17/h3-9H2,1-2H3,(H,13,14)