methyl 3-[5-oxidanylidene-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-oxidanylidene-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-yl]propanoate Openeye Name: methyl 3-[5-oxo-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-yl]propanoate CAS Name: 3-[5-oxo-4-[(Z)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-oxo-4-[(Z)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-yl]propanoate Traditional Name: 3-[5-keto-4-[(Z)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-yl]propionic acid methyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=O)NN1)C=C2C=CC=N2

Isomeric SMILES

COC(=O)CCC1=C(C(=O)NN1)/C=C\2/C=CC=N2

InChI

InChI=1S/C12H13N3O3/c1-18-11(16)5-4-10-9(12(17)15-14-10)7-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H2,14,15,17)/b8-7-