1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-cyanophenyl)guanidine

Systemtic Name: 1-cyano-1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-(4-cyanophenyl)guanidine Openeye Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-cyanophenyl)guanidine CAS Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(4-cyanophenyl)guanidine IUPAC Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(4-cyanophenyl)guanidine Traditional Name: 1-cyano-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-(4-cyanophenyl)guanidine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)C#N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C#N)C(=NC3=CC=C(C=C3)C#N)N)O)C

InChI

InChI=1S/C21H18N6O2/c1-21(2)19(28)18(16-9-14(11-23)5-8-17(16)29-21)27(12-24)20(25)26-15-6-3-13(10-22)4-7-15/h3-9,18-19,28H,1-2H3,(H2,25,26)