(3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-N-oxidanyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxamide

Systemtic Name: (3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-N-oxidanyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxamide Openeye Name: (3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carbohydroxamic acid CAS Name: (3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-N-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxamide IUPAC Name: (3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-N-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxamide Traditional Name: (3aR,6aS)-5-cyano-5-(3,4-dimethoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carbohydroxamic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC3CC(CC3C2)C(=O)NO)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C[C@H]3CC(C[C@H]3C2)C(=O)NO)C#N)OC

InChI

InChI=1S/C18H22N2O4/c1-23-15-4-3-14(7-16(15)24-2)18(10-19)8-12-5-11(17(21)20-22)6-13(12)9-18/h3-4,7,11-13,22H,5-6,8-9H2,1-2H3,(H,20,21)/t11?,12-,13+,18?