methyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-5-20-14-7-6-11(9-12(14)18-19-20)15(21)17-13(8-10(2)3)16(22)23-4/h6-7,9-10,13H,5,8H2,1-4H3,(H,17,21)