1-(2-nitro-5-pyrrolidin-1-yl-phenyl)azepane

Systemtic Name: 1-(2-nitro-5-pyrrolidin-1-yl-phenyl)azepane Openeye Name: 1-(2-nitro-5-pyrrolidin-1-yl-phenyl)azepane CAS Name: 1-[2-nitro-5-(1-pyrrolidinyl)phenyl]azepane IUPAC Name: 1-(2-nitro-5-pyrrolidin-1-ylphenyl)azepane Traditional Name: 1-(2-nitro-5-pyrrolidino-phenyl)azepane Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O2/c20-19(21)15-8-7-14(17-9-5-6-10-17)13-16(15)18-11-3-1-2-4-12-18/h7-8,13H,1-6,9-12H2