[4-[4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] ethanoate

Systemtic Name: [4-[4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] ethanoate Openeye Name: [4-[4-(4-acetoxyphenyl)-2-methyl-5-oxo-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] acetate CAS Name: acetic acid [4-[4-(4-acetyloxyphenyl)-2-methyl-5-oxo-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] ester IUPAC Name: [4-[4-(4-acetyloxyphenyl)-2-methyl-5-oxo-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[4-(4-acetoxyphenyl)-5-keto-2-methyl-1H-pyrrolo[2,3-c]pyrazol-4-yl]phenyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2(C3=CN(NC3=NC2=O)C)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2(C3=CN(NC3=NC2=O)C)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C22H19N3O5/c1-13(26)29-17-8-4-15(5-9-17)22(16-6-10-18(11-7-16)30-14(2)27)19-12-25(3)24-20(19)23-21(22)28/h4-12H,1-3H3,(H,23,24,28)