6-[(2-cyanophenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-cyanophenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(2-cyanophenyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-[[(2-cyanoanilino)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(2-cyanophenyl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[(2-cyanophenyl)carbamoylamino]-6-keto-hexanoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C14H15N3O4/c15-9-10-5-1-2-6-11(10)16-14(21)17-12(18)7-3-4-8-13(19)20/h1-2,5-6H,3-4,7-8H2,(H,19,20)(H2,16,17,18,21)