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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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