4,5-bis(chloranyl)-2-[[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]carbamoyl]benzoate

Systemtic Name: 4,5-bis(chloranyl)-2-[[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]carbamoyl]benzoate Openeye Name: 4,5-dichloro-2-[[2-(isopentylcarbamoylamino)-2-oxo-ethyl]carbamoyl]benzoate CAS Name: 4,5-dichloro-2-[[[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]amino]-oxomethyl]benzoate IUPAC Name: 4,5-dichloro-2-[[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]carbamoyl]benzoate Traditional Name: 4,5-dichloro-2-[[2-(isoamylcarbamoylamino)-2-keto-ethyl]carbamoyl]benzoate Formula: C16H18Cl2N3O5- MolecularWeight: 403.23722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CNC(=O)C1=CC(=C(C=C1C(=O)[O-])Cl)Cl

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CNC(=O)C1=CC(=C(C=C1C(=O)[O-])Cl)Cl

InChI

InChI=1S/C16H19Cl2N3O5/c1-8(2)3-4-19-16(26)21-13(22)7-20-14(23)9-5-11(17)12(18)6-10(9)15(24)25/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)(H,24,25)(H2,19,21,22,26)/p-1