4-[3-[(4-chlorophenyl)carbamoylamino]prop-1-ynyl]-N-oxidanyl-benzamide

Systemtic Name: 4-[3-[(4-chlorophenyl)carbamoylamino]prop-1-ynyl]-N-oxidanyl-benzamide Openeye Name: 1-(4-chlorophenyl)-3-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]urea CAS Name: 4-[3-[[(4-chloroanilino)-oxomethyl]amino]prop-1-ynyl]-N-hydroxybenzamide IUPAC Name: 4-[3-[(4-chlorophenyl)carbamoylamino]prop-1-ynyl]-N-hydroxybenzamide Traditional Name: 1-(4-chlorophenyl)-3-[3-[4-(hydroxycarbamoyl)phenyl]prop-2-ynyl]urea Formula: C17H14ClN3O3 MolecularWeight: 343.76436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCNC(=O)NC2=CC=C(C=C2)Cl)C(=O)NO

Isomeric SMILES

C1=CC(=CC=C1C#CCNC(=O)NC2=CC=C(C=C2)Cl)C(=O)NO

InChI

InChI=1S/C17H14ClN3O3/c18-14-7-9-15(10-8-14)20-17(23)19-11-1-2-12-3-5-13(6-4-12)16(22)21-24/h3-10,24H,11H2,(H,21,22)(H2,19,20,23)