1-(2-nitrophenyl)azepane-2-carbonitrile

Systemtic Name: 1-(2-nitrophenyl)azepane-2-carbonitrile Openeye Name: 1-(2-nitrophenyl)azepane-2-carbonitrile CAS Name: 1-(2-nitrophenyl)-2-azepanecarbonitrile IUPAC Name: 1-(2-nitrophenyl)azepane-2-carbonitrile Traditional Name: 1-(2-nitrophenyl)azepane-2-carbonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(N(CC1)C2=CC=CC=C2[N+](=O)[O-])C#N

InChI

InChI=1S/C13H15N3O2/c14-10-11-6-2-1-5-9-15(11)12-7-3-4-8-13(12)16(17)18/h3-4,7-8,11H,1-2,5-6,9H2