methyl (3E)-3-[(6-chloranylpyridazin-3-yl)hydrazinylidene]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (3E)-3-[(6-chloranylpyridazin-3-yl)hydrazinylidene]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (3E)-2-(benzyloxycarbonylamino)-3-[(6-chloropyridazin-3-yl)hydrazono]propanoate CAS Name: (3E)-3-[(6-chloro-3-pyridazinyl)hydrazinylidene]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (3E)-2-(benzyloxycarbonylamino)-3-[(6-chloropyridazin-3-yl)hydrazono]propionic acid methyl ester Formula: C16H16ClN5O4 MolecularWeight: 377.78234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=NNC1=NN=C(C=C1)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(/C=N/NC1=NN=C(C=C1)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16ClN5O4/c1-25-15(23)12(9-18-21-14-8-7-13(17)20-22-14)19-16(24)26-10-11-5-3-2-4-6-11/h2-9,12H,10H2,1H3,(H,19,24)(H,21,22)/b18-9+