(3E)-2-oxidanylidene-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate

Systemtic Name: (3E)-2-oxidanylidene-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate Openeye Name: (3E)-2-oxo-3-[(1-propylimidazol-4-yl)methylene]piperidine-1-carboxylate CAS Name: (3E)-2-oxo-3-[(1-propyl-4-imidazolyl)methylidene]-1-piperidinecarboxylate IUPAC Name: (3E)-2-oxo-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate Traditional Name: (3E)-2-keto-3-[(1-propylimidazol-4-yl)methylene]piperidine-1-carboxylate Formula: C13H16N3O3- MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)C=C2CCCN(C2=O)C(=O)[O-]

Isomeric SMILES

CCCN1C=C(N=C1)/C=C/2\CCCN(C2=O)C(=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-2-5-15-8-11(14-9-15)7-10-4-3-6-16(12(10)17)13(18)19/h7-9H,2-6H2,1H3,(H,18,19)/p-1/b10-7+