[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO5/c1-11(13-4-7-15-16(8-13)25-10-24-15)20-17(21)9-23-18(22)12-2-5-14(19)6-3-12/h2-8,11H,9-10H2,1H3,(H,20,21)