[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrNO5/c18-11-5-7-12(8-6-11)19-16(20)10-23-17(21)15-9-22-13-3-1-2-4-14(13)24-15/h1-8,15H,9-10H2,(H,19,20)/t15-/m0/s1