4-azanyl-7-[5-(hydroxymethyl)furan-2-yl]-2,2,8-trimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-azanyl-7-[5-(hydroxymethyl)furan-2-yl]-2,2,8-trimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-amino-3-hydroxy-7-[5-(hydroxymethyl)-2-furyl]-2,2,8-trimethyl-chromane-6-carbonitrile CAS Name: 4-amino-3-hydroxy-7-[5-(hydroxymethyl)-2-furanyl]-2,2,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-amino-3-hydroxy-7-[5-(hydroxymethyl)furan-2-yl]-2,2,8-trimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-amino-3-hydroxy-2,2,8-trimethyl-7-(5-methylol-2-furyl)chroman-6-carbonitrile Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1OC(C(C2N)O)(C)C)C#N)C3=CC=C(O3)CO

Isomeric SMILES

CC1=C(C(=CC2=C1OC(C(C2N)O)(C)C)C#N)C3=CC=C(O3)CO

InChI

InChI=1S/C18H20N2O4/c1-9-14(13-5-4-11(8-21)23-13)10(7-19)6-12-15(20)17(22)18(2,3)24-16(9)12/h4-6,15,17,21-22H,8,20H2,1-3H3