[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid phthalimidomethyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O4/c25-19(11-10-15-12-22-24(13-15)16-6-2-1-3-7-16)28-14-23-20(26)17-8-4-5-9-18(17)21(23)27/h1-9,12-13H,10-11,14H2