(5aR,9aR)-2-methoxy-4-oxidanylidene-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile

Systemtic Name: (5aR,9aR)-2-methoxy-4-oxidanylidene-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile Openeye Name: (5aR,9aR)-2-methoxy-4-oxo-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile CAS Name: (5aR,9aR)-2-methoxy-4-oxo-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile IUPAC Name: (5aR,9aR)-2-methoxy-4-oxo-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile Traditional Name: (5aR,9aR)-4-keto-2-methoxy-5a,6,7,8,9,9a-hexahydro-5H-1,5-benzoxazepine-3-carbonitrile Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)NC2CCCCC2O1)C#N

Isomeric SMILES

COC1=C(C(=O)N[C@@H]2CCCC[C@H]2O1)C#N

InChI

InChI=1S/C11H14N2O3/c1-15-11-7(6-12)10(14)13-8-4-2-3-5-9(8)16-11/h8-9H,2-5H2,1H3,(H,13,14)/t8-,9-/m1/s1