[N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamic acid

Systemtic Name: [N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamic acid Openeye Name: [N-[1-(cyanomethylcarbamoyl)-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamic acid CAS Name: [[1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]imino-phenylmethyl]carbamic acid IUPAC Name: [N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]-C-phenylcarbonimidoyl]carbamic acid Traditional Name: [N-[1-(cyanomethylcarbamoyl)-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-17(2,3)11-13(15(22)19-10-9-18)20-14(21-16(23)24)12-7-5-4-6-8-12/h4-8,13H,10-11H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)