methyl 3-(3-azanyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-cyano-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl 3-(3-azanyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-cyano-3-(4-methoxyphenyl)propanoate Openeye Name: methyl 3-(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)-2-cyano-3-(4-methoxyphenyl)propanoate CAS Name: 3-(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)-2-cyano-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)-2-cyano-3-(4-methoxyphenyl)propanoate Traditional Name: 3-(3-amino-5-keto-3-pyrazolin-4-yl)-2-cyano-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C(NNC2=O)N)C(C#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C(NNC2=O)N)C(C#N)C(=O)OC

InChI

InChI=1S/C15H16N4O4/c1-22-9-5-3-8(4-6-9)11(10(7-16)15(21)23-2)12-13(17)18-19-14(12)20/h3-6,10-11H,1-2H3,(H4,17,18,19,20)