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

Systemtic Name: 4-(3-azanyl-6-oxidanylidene-pyridazin-1-yl)-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(3-amino-6-oxo-pyridazin-1-yl)-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-(3-amino-6-oxo-1-pyridazinyl)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-amino-6-oxopyridazin-1-yl)-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(3-amino-6-keto-pyridazin-1-yl)-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CC(=N3)N)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CC(=N3)N)O)COC

InChI

InChI=1S/C18H20N4O5/c1-25-9-18(10-26-2)17(24)16(22-15(23)6-5-14(20)21-22)12-7-11(8-19)3-4-13(12)27-18/h3-7,16-17,24H,9-10H2,1-2H3,(H2,20,21)