6-azanyl-8-[3-[(2-chloranylphenoxy)methyl]phenyl]-3-methyl-1-oxidanylidene-3,5,8,8a-tetrahydroisochromene-7-carbonitrile

Systemtic Name: 6-azanyl-8-[3-[(2-chloranylphenoxy)methyl]phenyl]-3-methyl-1-oxidanylidene-3,5,8,8a-tetrahydroisochromene-7-carbonitrile Openeye Name: 6-amino-8-[3-[(2-chlorophenoxy)methyl]phenyl]-3-methyl-1-oxo-3,5,8,8a-tetrahydroisochromene-7-carbonitrile CAS Name: 6-amino-8-[3-[(2-chlorophenoxy)methyl]phenyl]-3-methyl-1-oxo-3,5,8,8a-tetrahydro-2-benzopyran-7-carbonitrile IUPAC Name: 6-amino-8-[3-[(2-chlorophenoxy)methyl]phenyl]-3-methyl-1-oxo-3,5,8,8a-tetrahydroisochromene-7-carbonitrile Traditional Name: 6-amino-8-[3-[(2-chlorophenoxy)methyl]phenyl]-1-keto-3-methyl-3,5,8,8a-tetrahydroisochromene-7-carbonitrile Formula: C24H21ClN2O3 MolecularWeight: 420.88814

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2CC(=C(C(C2C(=O)O1)C3=CC(=CC=C3)COC4=CC=CC=C4Cl)C#N)N

Isomeric SMILES

CC1C=C2CC(=C(C(C2C(=O)O1)C3=CC(=CC=C3)COC4=CC=CC=C4Cl)C#N)N

InChI

InChI=1S/C24H21ClN2O3/c1-14-9-17-11-20(27)18(12-26)22(23(17)24(28)30-14)16-6-4-5-15(10-16)13-29-21-8-3-2-7-19(21)25/h2-10,14,22-23H,11,13,27H2,1H3