[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrNO5/c18-12-3-1-11(2-4-12)17(21)24-10-16(20)19-13-5-6-14-15(9-13)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,19,20)