(4S,5R)-3-azanyl-4-chloranyl-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile

Systemtic Name: (4S,5R)-3-azanyl-4-chloranyl-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile Openeye Name: (4S,5R)-3-amino-4-chloro-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile CAS Name: (4S,5R)-3-amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile IUPAC Name: (4S,5R)-3-amino-4-chloro-5-methyl-4-nitrocyclopent-2-ene-1,1,2-tricarbonitrile Traditional Name: (4S,5R)-3-amino-4-chloro-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile Formula: C9H6ClN5O2 MolecularWeight: 251.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C(C1([N+](=O)[O-])Cl)N)C#N)(C#N)C#N

Isomeric SMILES

C[C@H]1[C@](C(=C(C1(C#N)C#N)C#N)N)([N+](=O)[O-])Cl

InChI

InChI=1S/C9H6ClN5O2/c1-5-8(3-12,4-13)6(2-11)7(14)9(5,10)15(16)17/h5H,14H2,1H3/t5-,9-/m1/s1