ethyl (E)-4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-(3-imidazol-1-ylpropylamino)-4-oxo-but-2-enoate CAS Name: (E)-4-[3-(1-imidazolyl)propylamino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(3-imidazol-1-ylpropylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-(3-imidazol-1-ylpropylamino)-4-keto-but-2-enoic acid ethyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NCCCN1C=CN=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C12H17N3O3/c1-2-18-12(17)5-4-11(16)14-6-3-8-15-9-7-13-10-15/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,14,16)/b5-4+