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

Systemtic Name: methyl 3-[4-[(E)-indol-3-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]propanoate Openeye Name: methyl 3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]propanoate CAS Name: 3-[4-[(E)-3-indolylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]propanoate Traditional Name: 3-[4-[(E)-indol-3-ylidenemethyl]-5-keto-3-pyrazolin-3-yl]propionic acid methyl ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=O)NN1)C=C2C=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)CCC1=C(C(=O)NN1)/C=C\2/C=NC3=CC=CC=C32

InChI

InChI=1S/C16H15N3O3/c1-22-15(20)7-6-14-12(16(21)19-18-14)8-10-9-17-13-5-3-2-4-11(10)13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,21)/b10-8-