[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrNO5/c17-11-2-1-3-12(7-11)18-15(19)8-21-16(20)10-4-5-13-14(6-10)23-9-22-13/h1-7H,8-9H2,(H,18,19)