6-[(3-cyanophenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-cyanophenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-cyanophenyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-[[(3-cyanoanilino)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-cyanophenyl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[(3-cyanophenyl)carbamoylamino]-6-keto-hexanoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c15-9-10-4-3-5-11(8-10)16-14(21)17-12(18)6-1-2-7-13(19)20/h3-5,8H,1-2,6-7H2,(H,19,20)(H2,16,17,18,21)