4-azanyl-5-(5-azanyl-2-cyano-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-(5-azanyl-2-cyano-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-(5-amino-2-cyano-phenyl)-5-oxo-pentanoic acid CAS Name: 4-amino-5-(5-amino-2-cyanophenyl)-5-oxopentanoic acid IUPAC Name: 4-amino-5-(5-amino-2-cyanophenyl)-5-oxopentanoic acid Traditional Name: 4-amino-5-(5-amino-2-cyano-phenyl)-5-keto-valeric acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)C(CCC(=O)O)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)C(CCC(=O)O)N)C#N

InChI

InChI=1S/C12H13N3O3/c13-6-7-1-2-8(14)5-9(7)12(18)10(15)3-4-11(16)17/h1-2,5,10H,3-4,14-15H2,(H,16,17)