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

Systemtic Name: (4S,5R)-3-azanyl-4-methyl-4-nitro-5-propan-2-yl-cyclopent-2-ene-1,1,2-tricarbonitrile Openeye Name: (4S,5R)-3-amino-5-isopropyl-4-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile CAS Name: (4S,5R)-3-amino-4-methyl-4-nitro-5-propan-2-ylcyclopent-2-ene-1,1,2-tricarbonitrile IUPAC Name: (4S,5R)-3-amino-4-methyl-4-nitro-5-propan-2-ylcyclopent-2-ene-1,1,2-tricarbonitrile Traditional Name: (4S,5R)-3-amino-5-isopropyl-4-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=C(C1(C#N)C#N)C#N)N)(C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O2/c1-7(2)9-11(3,17(18)19)10(16)8(4-13)12(9,5-14)6-15/h7,9H,16H2,1-3H3/t9-,11-/m0/s1