methyl (2S)-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]propanoate CAS Name: (2S)-2-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]propionic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4/c1-11(16(22)23-2)17-15(21)13-8-9-14(20)19(18-13)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,21)/t11-/m0/s1