[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C15H17IN2O4 MolecularWeight: 416.21095

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C15H17IN2O4/c1-18(8-13(19)17-12-5-6-12)14(20)9-22-15(21)10-3-2-4-11(16)7-10/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,19)