(4R,7S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4R,7S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4R,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4R,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4R,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4R,7S)-2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7-methyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

Isomeric SMILES

C[C@H]1CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

InChI

InChI=1S/C18H16N2O4/c1-9-4-12(21)17-15(5-9)24-18(20)11(7-19)16(17)10-2-3-13-14(6-10)23-8-22-13/h2-3,6,9,16H,4-5,8,20H2,1H3/t9-,16-/m1/s1