4-[bis(cyanomethyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[bis(cyanomethyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[bis(cyanomethyl)amino]-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[bis(cyanomethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[bis(cyanomethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[bis(cyanomethyl)amino]-4-keto-2-methyl-2-phenyl-butyric acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-15(14(20)21,12-5-3-2-4-6-12)11-13(19)18(9-7-16)10-8-17/h2-6H,9-11H2,1H3,(H,20,21)