5-chloranylpyridin-2-amine; (2Z)-2-[[(5-chloranylpyridin-2-yl)amino]methylidene]-4-ethoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 5-chloranylpyridin-2-amine; (2Z)-2-[[(5-chloranylpyridin-2-yl)amino]methylidene]-4-ethoxy-4-oxidanylidene-butanoic acid Openeye Name: 5-chloropyridin-2-amine; (2Z)-2-[[(5-chloro-2-pyridyl)amino]methylene]-4-ethoxy-4-oxo-butanoic acid CAS Name: 5-chloro-2-pyridinamine; (2Z)-2-[[(5-chloro-2-pyridinyl)amino]methylidene]-4-ethoxy-4-oxobutanoic acid IUPAC Name: 5-chloropyridin-2-amine; (2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]-4-ethoxy-4-oxobutanoic acid Traditional Name: (5-chloro-2-pyridyl)amine; (Z)-3-[(5-chloro-2-pyridyl)amino]-2-(2-ethoxy-2-keto-ethyl)acrylic acid Formula: C17H18Cl2N4O4 MolecularWeight: 413.25522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=CNC1=NC=C(C=C1)Cl)C(=O)O.C1=CC(=NC=C1Cl)N

Isomeric SMILES

CCOC(=O)C/C(=C/NC1=NC=C(C=C1)Cl)/C(=O)O.C1=CC(=NC=C1Cl)N

InChI

InChI=1S/C12H13ClN2O4.C5H5ClN2/c1-2-19-11(16)5-8(12(17)18)6-14-10-4-3-9(13)7-15-10;6-4-1-2-5(7)8-3-4/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,17,18);1-3H,(H2,7,8)/b8-6-;