2-nitro-4-octan-2-yloxy-1-phenylmethoxy-benzene

Systemtic Name: 2-nitro-4-octan-2-yloxy-1-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-4-(1-methylheptoxy)-2-nitro-benzene CAS Name: 2-nitro-4-octan-2-yloxy-1-phenylmethoxybenzene IUPAC Name: 2-nitro-4-octan-2-yloxy-1-phenylmethoxybenzene Traditional Name: 1-benzoxy-4-(1-methylheptoxy)-2-nitro-benzene Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27NO4/c1-3-4-5-7-10-17(2)26-19-13-14-21(20(15-19)22(23)24)25-16-18-11-8-6-9-12-18/h6,8-9,11-15,17H,3-5,7,10,16H2,1-2H3