1-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]azepane

Systemtic Name: 1-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]azepane Openeye Name: 1-[2-(4-benzyloxy-3-nitro-phenyl)ethyl]azepane CAS Name: 1-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]azepane IUPAC Name: 1-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]azepane Traditional Name: 1-[2-(4-benzoxy-3-nitro-phenyl)ethyl]azepane Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O3/c24-23(25)20-16-18(12-15-22-13-6-1-2-7-14-22)10-11-21(20)26-17-19-8-4-3-5-9-19/h3-5,8-11,16H,1-2,6-7,12-15,17H2