4-[(2-cyanophenyl)amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[(2-cyanophenyl)amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(2-cyanoanilino)-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-(2-cyanoanilino)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(2-cyanoanilino)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(2-cyanoanilino)-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3C#N)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3C#N)O)COC

InChI

InChI=1S/C21H21N3O4/c1-26-12-21(13-27-2)20(25)19(24-17-6-4-3-5-15(17)11-23)16-9-14(10-22)7-8-18(16)28-21/h3-9,19-20,24-25H,12-13H2,1-2H3