ethyl (Z)-4-ethoxy-4-oxidanyl-2-oxidanylidene-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)but-3-enoate

Systemtic Name: ethyl (Z)-4-ethoxy-4-oxidanyl-2-oxidanylidene-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)but-3-enoate Openeye Name: ethyl (Z)-4-ethoxy-4-hydroxy-2-oxo-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)but-3-enoate CAS Name: (Z)-4-ethoxy-4-hydroxy-2-oxo-3-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-4-ethoxy-4-hydroxy-2-oxo-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)but-3-enoate Traditional Name: (Z)-4-ethoxy-4-hydroxy-2-keto-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)but-3-enoic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C(=O)C(=O)OCC)O

Isomeric SMILES

CCO/C(=C(/C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)\C(=O)C(=O)OCC)/O

InChI

InChI=1S/C21H21N3O5/c1-3-28-20(26)17(18(25)21(27)29-4-2)16-14-22-24(15-10-6-5-7-11-15)19(16)23-12-8-9-13-23/h5-14,26H,3-4H2,1-2H3/b20-17-