2-azanyl-2-[3-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]propylamino]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]propylamino]ethanoic acid Openeye Name: 2-amino-2-[3-[4-methyl-5-(2-nitrooxyethyl)thiazol-2-yl]propylamino]acetic acid CAS Name: 2-amino-2-[3-[4-methyl-5-(2-nitrooxyethyl)-2-thiazolyl]propylamino]acetic acid IUPAC Name: 2-amino-2-[3-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]propylamino]acetic acid Traditional Name: 2-amino-2-[3-[4-methyl-5-(2-nitrooxyethyl)thiazol-2-yl]propylamino]acetic acid Formula: C11H18N4O5S MolecularWeight: 318.34942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CCCNC(C(=O)O)N)CCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CCCNC(C(=O)O)N)CCO[N+](=O)[O-]

InChI

InChI=1S/C11H18N4O5S/c1-7-8(4-6-20-15(18)19)21-9(14-7)3-2-5-13-10(12)11(16)17/h10,13H,2-6,12H2,1H3,(H,16,17)