(2S)-3-azanylidene-4-methanoyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]cyclopentane-1,1,2-tricarbonitrile

Systemtic Name: (2S)-3-azanylidene-4-methanoyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]cyclopentane-1,1,2-tricarbonitrile Openeye Name: (2S)-4-formyl-3-imino-2-[2-oxo-2-(p-tolyl)ethyl]cyclopentane-1,1,2-tricarbonitrile CAS Name: (2S)-4-formyl-3-imino-2-[2-(4-methylphenyl)-2-oxoethyl]cyclopentane-1,1,2-tricarbonitrile IUPAC Name: (2S)-4-formyl-3-imino-2-[2-(4-methylphenyl)-2-oxoethyl]cyclopentane-1,1,2-tricarbonitrile Traditional Name: (2S)-4-formyl-3-imino-2-[2-keto-2-(p-tolyl)ethyl]cyclopentane-1,1,2-tricarbonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2(C(=N)C(CC2(C#N)C#N)C=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@]2(C(=N)C(CC2(C#N)C#N)C=O)C#N

InChI

InChI=1S/C18H14N4O2/c1-12-2-4-13(5-3-12)15(24)7-18(11-21)16(22)14(8-23)6-17(18,9-19)10-20/h2-5,8,14,22H,6-7H2,1H3/t14?,18-/m1/s1