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

Systemtic Name: methyl 4-[1-[4-[(E)-indol-3-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]ethyl]benzoate Openeye Name: methyl 4-[1-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoate CAS Name: 4-[1-[4-[(E)-3-indolylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]ethyl]benzoate Traditional Name: 4-[1-[4-[(E)-indol-3-ylidenemethyl]-5-keto-3-pyrazolin-3-yl]ethyl]benzoic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)OC)C2=C(C(=O)NN2)C=C3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)OC)C2=C(C(=O)NN2)/C=C\3/C=NC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3/c1-13(14-7-9-15(10-8-14)22(27)28-2)20-18(21(26)25-24-20)11-16-12-23-19-6-4-3-5-17(16)19/h3-13H,1-2H3,(H2,24,25,26)/b16-11-