2-(4-azanylcyclohexyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-azanylcyclohexyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-aminocyclohexyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-aminocyclohexyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-aminocyclohexyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-aminocyclohexyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c15-8-4-6-9(7-5-8)16-13(18)10-2-1-3-11(17(20)21)12(10)14(16)19/h1-3,8-9H,4-7,15H2