2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methyl-butyric acid Formula: C14H18N4O3 MolecularWeight: 290.31772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC(C(C)C)C(=O)O)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC(C(C)C)C(=O)O)N=N1

InChI

InChI=1S/C14H18N4O3/c1-4-18-11-6-5-9(7-10(11)16-17-18)13(19)15-12(8(2)3)14(20)21/h5-8,12H,4H2,1-3H3,(H,15,19)(H,20,21)