2-[[4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: 2-[[4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: 2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: 2-[[oxo-[4-(prop-2-ynylamino)phenyl]methyl]amino]pentanedioate IUPAC Name: 2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: 2-[[4-(propargylamino)benzoyl]amino]glutarate Formula: C15H14N2O5-2 MolecularWeight: 302.28206

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=C(C=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C#CCNC1=CC=C(C=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H16N2O5/c1-2-9-16-11-5-3-10(4-6-11)14(20)17-12(15(21)22)7-8-13(18)19/h1,3-6,12,16H,7-9H2,(H,17,20)(H,18,19)(H,21,22)/p-2