methyl (2E)-2-[azanyl(phenylazanyl)methylidene]-3-oxidanylidene-pentanoate

Systemtic Name: methyl (2E)-2-[azanyl(phenylazanyl)methylidene]-3-oxidanylidene-pentanoate Openeye Name: methyl (2E)-2-[amino(anilino)methylene]-3-oxo-pentanoate CAS Name: (2E)-2-[amino(anilino)methylidene]-3-oxopentanoic acid methyl ester IUPAC Name: methyl (2E)-2-[amino(anilino)methylidene]-3-oxopentanoate Traditional Name: (E)-3-amino-3-anilino-2-propionyl-acrylic acid methyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=C(N)NC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCC(=O)/C(=C(/N)\NC1=CC=CC=C1)/C(=O)OC

InChI

InChI=1S/C13H16N2O3/c1-3-10(16)11(13(17)18-2)12(14)15-9-7-5-4-6-8-9/h4-8,15H,3,14H2,1-2H3/b12-11+