[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C22H20BrN3O5 MolecularWeight: 486.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20BrN3O5/c23-17-10-19-20(30-9-8-29-19)11-18(17)25-21(27)14-31-22(28)7-6-15-12-24-26(13-15)16-4-2-1-3-5-16/h1-5,10-13H,6-9,14H2,(H,25,27)