(2Z)-5-ethoxy-5-oxidanylidene-2-[(pyridin-2-ylamino)methylidene]pentanoic acid; pyridin-2-amine

Systemtic Name: (2Z)-5-ethoxy-5-oxidanylidene-2-[(pyridin-2-ylamino)methylidene]pentanoic acid; pyridin-2-amine Openeye Name: (2Z)-5-ethoxy-5-oxo-2-[(2-pyridylamino)methylene]pentanoic acid; pyridin-2-amine CAS Name: (2Z)-5-ethoxy-5-oxo-2-[(2-pyridinylamino)methylidene]pentanoic acid; 2-pyridinamine IUPAC Name: (2Z)-5-ethoxy-5-oxo-2-[(pyridin-2-ylamino)methylidene]pentanoic acid; pyridin-2-amine Traditional Name: (Z)-2-(3-ethoxy-3-keto-propyl)-3-(2-pyridylamino)acrylic acid; 2-pyridylamine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=CNC1=CC=CC=N1)C(=O)O.C1=CC=NC(=C1)N

Isomeric SMILES

CCOC(=O)CC/C(=C/NC1=CC=CC=N1)/C(=O)O.C1=CC=NC(=C1)N

InChI

InChI=1S/C13H16N2O4.C5H6N2/c1-2-19-12(16)7-6-10(13(17)18)9-15-11-5-3-4-8-14-11;6-5-3-1-2-4-7-5/h3-5,8-9H,2,6-7H2,1H3,(H,14,15)(H,17,18);1-4H,(H2,6,7)/b10-9-;