2,6-bis(azanyl)hexanoic acid; 4-[[(Z)-2-cyano-3-cyclopropyl-1-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]benzenecarbonitrile

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-[[(Z)-2-cyano-3-cyclopropyl-1-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]benzenecarbonitrile Openeye Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxo-prop-1-enyl]amino]benzonitrile; 2,6-diaminohexanoic acid CAS Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxoprop-1-enyl]amino]benzonitrile; 2,6-diaminohexanoic acid IUPAC Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxoprop-1-enyl]amino]benzonitrile; 2,6-diaminohexanoic acid Traditional Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-keto-prop-1-enyl]amino]benzonitrile; 2,6-diaminohexanoic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(NC2=CC=C(C=C2)C#N)O)C#N.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1CC1C(=O)/C(=C(/NC2=CC=C(C=C2)C#N)\O)/C#N.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C14H11N3O2.C6H14N2O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10;7-4-2-1-3-5(8)6(9)10/h1-2,5-6,10,17,19H,3-4H2;5H,1-4,7-8H2,(H,9,10)/b14-12-;