5-[(3-cyanophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3-cyanophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(3-cyanoanilino)-5-oxo-pentanoate CAS Name: 5-(3-cyanoanilino)-5-oxopentanoate IUPAC Name: 5-(3-cyanoanilino)-5-oxopentanoate Traditional Name: 5-(3-cyanoanilino)-5-keto-valerate Formula: C12H11N2O3- MolecularWeight: 231.22734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCC(=O)[O-])C#N

InChI

InChI=1S/C12H12N2O3/c13-8-9-3-1-4-10(7-9)14-11(15)5-2-6-12(16)17/h1,3-4,7H,2,5-6H2,(H,14,15)(H,16,17)/p-1