phenyl 4-azanyl-N,6-dicyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-8-carboximidate

Systemtic Name: phenyl 4-azanyl-N,6-dicyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-8-carboximidate Openeye Name: phenyl 4-amino-N,6-dicyano-3-hydroxy-2,2-dimethyl-chromane-8-carboximidate CAS Name: 4-amino-N,6-dicyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-carboximidic acid phenyl ester IUPAC Name: phenyl 4-amino-N,6-dicyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-8-carboximidate Traditional Name: 4-amino-N,6-dicyano-3-hydroxy-2,2-dimethyl-chroman-8-carboximidic acid phenyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=CC(=C2O1)C(=NC#N)OC3=CC=CC=C3)C#N)N)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=CC(=C2O1)C(=NC#N)OC3=CC=CC=C3)C#N)N)O)C

InChI

InChI=1S/C20H18N4O3/c1-20(2)18(25)16(23)14-8-12(10-21)9-15(17(14)27-20)19(24-11-22)26-13-6-4-3-5-7-13/h3-9,16,18,25H,23H2,1-2H3