N-(cyanomethyl)-2-[(3,4-dichlorophenyl)-methoxy-amino]propanamide; 2-fluoranylpropanal

Systemtic Name: N-(cyanomethyl)-2-[(3,4-dichlorophenyl)-methoxy-amino]propanamide; 2-fluoranylpropanal Openeye Name: N-(cyanomethyl)-2-(3,4-dichloro-N-methoxy-anilino)propanamide; 2-fluoropropanal CAS Name: N-(cyanomethyl)-2-(3,4-dichloro-N-methoxyanilino)propanamide; 2-fluoropropanal IUPAC Name: N-(cyanomethyl)-2-(3,4-dichloro-N-methoxyanilino)propanamide; 2-fluoropropanal Traditional Name: N-(cyanomethyl)-2-(3,4-dichloro-N-methoxy-anilino)propionamide; 2-fluoropropionaldehyde Formula: C15H18Cl2FN3O3 MolecularWeight: 378.226123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)F.CC(C(=O)NCC#N)N(C1=CC(=C(C=C1)Cl)Cl)OC

Isomeric SMILES

CC(C=O)F.CC(C(=O)NCC#N)N(C1=CC(=C(C=C1)Cl)Cl)OC

InChI

InChI=1S/C12H13Cl2N3O2.C3H5FO/c1-8(12(18)16-6-5-15)17(19-2)9-3-4-10(13)11(14)7-9;1-3(4)2-5/h3-4,7-8H,6H2,1-2H3,(H,16,18);2-3H,1H3