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

Systemtic Name: methyl (2S)-2-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(6-keto-1H-pyridazine-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NNC(=O)C=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NNC(=O)C=C2

InChI

InChI=1S/C15H15N3O4/c1-22-15(21)12(9-10-5-3-2-4-6-10)16-14(20)11-7-8-13(19)18-17-11/h2-8,12H,9H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1