3-[(6-chloranylpyridazin-3-yl)amino]-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromene-6-carbonitrile

Systemtic Name: 3-[(6-chloranylpyridazin-3-yl)amino]-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromene-6-carbonitrile Openeye Name: 3-[(6-chloropyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 3-[(6-chloro-3-pyridazinyl)amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-[(6-chloropyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromene-6-carbonitrile Traditional Name: 3-[(6-chloropyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN=C(C=C3)Cl)O)COC

Isomeric SMILES

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN=C(C=C3)Cl)O)COC

InChI

InChI=1S/C18H19ClN4O4/c1-25-10-17(11-26-2)18(24,21-16-6-5-15(19)22-23-16)8-13-7-12(9-20)3-4-14(13)27-17/h3-7,24H,8,10-11H2,1-2H3,(H,21,23)