ethyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate

Systemtic Name: ethyl N-cyano-N'-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamimidate Openeye Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-ethyl-isourea CAS Name: N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamimidic acid ethyl ester IUPAC Name: ethyl N-cyano-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamimidate Traditional Name: 1-cyano-3-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-ethyl-isourea Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-4-22-15(19-9-18)20-13-11-7-10(8-17)5-6-12(11)23-16(2,3)14(13)21/h5-7,13-14,21H,4H2,1-3H3,(H,19,20)