2-[6-oxidanylidene-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]pyridazin-1-yl]ethanoate

Systemtic Name: 2-[6-oxidanylidene-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]pyridazin-1-yl]ethanoate Openeye Name: 2-[3-[(1S)-1-(benzyloxycarbonylamino)ethyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[6-oxo-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-1-pyridazinyl]acetate IUPAC Name: 2-[6-oxo-3-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]pyridazin-1-yl]acetate Traditional Name: 2-[3-[(1S)-1-(benzyloxycarbonylamino)ethyl]-6-keto-pyridazin-1-yl]acetate Formula: C16H16N3O5- MolecularWeight: 330.31534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C(=O)C=C1)CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=NN(C(=O)C=C1)CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O5/c1-11(13-7-8-14(20)19(18-13)9-15(21)22)17-16(23)24-10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,23)(H,21,22)/p-1/t11-/m0/s1