2-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid

Systemtic Name: 2-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid Openeye Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 2-(4-chloro-2-methyl-phenoxy)acetic acid CAS Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile; 2-(4-chloro-2-methylphenoxy)acetic acid IUPAC Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile; 2-(4-chloro-2-methylphenoxy)acetic acid Traditional Name: 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl-propionitrile; 2-(4-chloro-2-methyl-phenoxy)acetic acid Formula: C18H22Cl2N6O3 MolecularWeight: 441.31168

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N.CC1=C(C=CC(=C1)Cl)OCC(=O)O

Isomeric SMILES

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N.CC1=C(C=CC(=C1)Cl)OCC(=O)O

InChI

InChI=1S/C9H13ClN6.C9H9ClO3/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11;1-6-4-7(10)2-3-8(6)13-5-9(11)12/h4H2,1-3H3,(H2,12,13,14,15,16);2-4H,5H2,1H3,(H,11,12)