1-(2-nitro-4-pyrrol-1-yl-phenyl)azepane

Systemtic Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)azepane Openeye Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)azepane CAS Name: 1-[2-nitro-4-(1-pyrrolyl)phenyl]azepane IUPAC Name: 1-(2-nitro-4-pyrrol-1-ylphenyl)azepane Traditional Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)azepane Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2/c20-19(21)16-13-14(17-9-5-6-10-17)7-8-15(16)18-11-3-1-2-4-12-18/h5-10,13H,1-4,11-12H2