[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H12INO5 MolecularWeight: 425.17465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H12INO5/c17-11-3-1-2-10(6-11)16(20)21-8-15(19)18-12-4-5-13-14(7-12)23-9-22-13/h1-7H,8-9H2,(H,18,19)