(2R,4S,5S)-3-azanylidene-4-methanoyl-5-methyl-2-phenacyl-cyclopentane-1,1,2-tricarbonitrile

Systemtic Name: (2R,4S,5S)-3-azanylidene-4-methanoyl-5-methyl-2-phenacyl-cyclopentane-1,1,2-tricarbonitrile Openeye Name: (2R,4S,5S)-4-formyl-3-imino-5-methyl-2-phenacyl-cyclopentane-1,1,2-tricarbonitrile CAS Name: (2R,4S,5S)-4-formyl-3-imino-5-methyl-2-phenacylcyclopentane-1,1,2-tricarbonitrile IUPAC Name: (2R,4S,5S)-4-formyl-3-imino-5-methyl-2-phenacylcyclopentane-1,1,2-tricarbonitrile Traditional Name: (2R,4S,5S)-4-formyl-3-imino-5-methyl-2-phenacyl-cyclopentane-1,1,2-tricarbonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=N)C(C1(C#N)C#N)(CC(=O)C2=CC=CC=C2)C#N)C=O

Isomeric SMILES

C[C@H]1[C@@H](C(=N)[C@](C1(C#N)C#N)(CC(=O)C2=CC=CC=C2)C#N)C=O

InChI

InChI=1S/C18H14N4O2/c1-12-14(8-23)16(22)17(9-19,18(12,10-20)11-21)7-15(24)13-5-3-2-4-6-13/h2-6,8,12,14,22H,7H2,1H3/t12-,14-,17-/m0/s1