4-(3-azanyl-1,2,4-triazol-4-yl)-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(3-azanyl-1,2,4-triazol-4-yl)-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(3-amino-1,2,4-triazol-4-yl)-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-(3-amino-1,2,4-triazol-4-yl)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-amino-1,2,4-triazol-4-yl)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(3-amino-1,2,4-triazol-4-yl)-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=NN=C3N)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=NN=C3N)O)COC

InChI

InChI=1S/C16H19N5O4/c1-23-7-16(8-24-2)14(22)13(21-9-19-20-15(21)18)11-5-10(6-17)3-4-12(11)25-16/h3-5,9,13-14,22H,7-8H2,1-2H3,(H2,18,20)