N'-[(3R,4S)-6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-ethanimidamide

Systemtic Name: N'-[(3R,4S)-6-chloranyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-ethanimidamide Openeye Name: N'-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N-cyano-acetamidine CAS Name: N'-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-cyanoethanimidamide IUPAC Name: N'-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-cyanoethanimidamide Traditional Name: N'-[(3R,4S)-6-chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N-cyano-acetamidine Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1C(C(OC2=C1C=C(C=C2)Cl)(C)C)O)NC#N

Isomeric SMILES

CC(=N[C@@H]1[C@H](C(OC2=C1C=C(C=C2)Cl)(C)C)O)NC#N

InChI

InChI=1S/C14H16ClN3O2/c1-8(17-7-16)18-12-10-6-9(15)4-5-11(10)20-14(2,3)13(12)19/h4-6,12-13,19H,1-3H3,(H,17,18)/t12-,13+/m0/s1