3-[[4-[1,3-bis(chloranyl)propan-2-yloxy]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: 3-[[4-[1,3-bis(chloranyl)propan-2-yloxy]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: 3-[[4-[2-chloro-1-(chloromethyl)ethoxy]-4-oxo-butanoyl]amino]benzoate CAS Name: 3-[[4-(1,3-dichloropropan-2-yloxy)-1,4-dioxobutyl]amino]benzoate IUPAC Name: 3-[[4-(1,3-dichloropropan-2-yloxy)-4-oxobutanoyl]amino]benzoate Traditional Name: 3-[[4-[2-chloro-1-(chloromethyl)ethoxy]-4-keto-butanoyl]amino]benzoate Formula: C14H14Cl2NO5- MolecularWeight: 347.17066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(=O)OC(CCl)CCl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(=O)OC(CCl)CCl)C(=O)[O-]

InChI

InChI=1S/C14H15Cl2NO5/c15-7-11(8-16)22-13(19)5-4-12(18)17-10-3-1-2-9(6-10)14(20)21/h1-3,6,11H,4-5,7-8H2,(H,17,18)(H,20,21)/p-1