[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C22H16N2O5/c25-22(15-3-6-18(7-4-15)24-9-1-2-10-24)26-13-17-12-20(29-23-17)16-5-8-19-21(11-16)28-14-27-19/h1-12H,13-14H2