(1R,3aS,7aR)-6-ethoxy-1-methyl-1-nitro-4-oxidanylidene-2,3,7,7a-tetrahydroindene-3a-carbonitrile

Systemtic Name: (1R,3aS,7aR)-6-ethoxy-1-methyl-1-nitro-4-oxidanylidene-2,3,7,7a-tetrahydroindene-3a-carbonitrile Openeye Name: (1R,3aS,7aR)-6-ethoxy-1-methyl-1-nitro-4-oxo-2,3,7,7a-tetrahydroindene-3a-carbonitrile CAS Name: (1R,3aS,7aR)-6-ethoxy-1-methyl-1-nitro-4-oxo-2,3,7,7a-tetrahydroindene-3a-carbonitrile IUPAC Name: (1R,3aS,7aR)-6-ethoxy-1-methyl-1-nitro-4-oxo-2,3,7,7a-tetrahydroindene-3a-carbonitrile Traditional Name: (1R,3aS,7aR)-6-ethoxy-4-keto-1-methyl-1-nitro-2,3,7,7a-tetrahydroindene-3a-carbonitrile Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C2(CCC(C2C1)(C)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC(=O)[C@]2(CC[C@@]([C@@H]2C1)(C)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H16N2O4/c1-3-19-9-6-10-12(2,15(17)18)4-5-13(10,8-14)11(16)7-9/h7,10H,3-6H2,1-2H3/t10-,12+,13+/m0/s1