(3R,6S)-2-azanylidene-6-(3-bromophenyl)-4-cyclopropyl-cyclohex-4-ene-1,1,3-tricarbonitrile

Systemtic Name: (3R,6S)-2-azanylidene-6-(3-bromophenyl)-4-cyclopropyl-cyclohex-4-ene-1,1,3-tricarbonitrile Openeye Name: (3R,6S)-6-(3-bromophenyl)-4-cyclopropyl-2-imino-cyclohex-4-ene-1,1,3-tricarbonitrile CAS Name: (3R,6S)-6-(3-bromophenyl)-4-cyclopropyl-2-iminocyclohex-4-ene-1,1,3-tricarbonitrile IUPAC Name: (3R,6S)-6-(3-bromophenyl)-4-cyclopropyl-2-iminocyclohex-4-ene-1,1,3-tricarbonitrile Traditional Name: (3R,6S)-6-(3-bromophenyl)-4-cyclopropyl-2-imino-cyclohex-4-ene-1,1,3-tricarbonitrile Formula: C18H13BrN4 MolecularWeight: 365.22662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CC1C2=C[C@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H13BrN4/c19-13-3-1-2-12(6-13)16-7-14(11-4-5-11)15(8-20)17(23)18(16,9-21)10-22/h1-3,6-7,11,15-16,23H,4-5H2/t15-,16+/m1/s1