1-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]-4-propan-2-yl-benzene

Systemtic Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]-4-propan-2-yl-benzene Openeye Name: 1-isopropyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]benzene CAS Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]-4-propan-2-ylbenzene IUPAC Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)butyl]-4-propan-2-ylbenzene Traditional Name: 1-isopropyl-4-[2-nitro-1-(4-propargyloxyphenyl)butyl]benzene Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)C(C)C)C2=CC=C(C=C2)OCC#C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=C(C=C1)C(C)C)C2=CC=C(C=C2)OCC#C)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO3/c1-5-15-26-20-13-11-19(12-14-20)22(21(6-2)23(24)25)18-9-7-17(8-10-18)16(3)4/h1,7-14,16,21-22H,6,15H2,2-4H3