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

Systemtic Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]-4-propan-2-yl-benzene Openeye Name: 1-isopropyl-4-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]benzene CAS Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]-4-propan-2-ylbenzene IUPAC Name: 1-[2-nitro-1-(4-prop-2-ynoxyphenyl)propyl]-4-propan-2-ylbenzene Traditional Name: 1-isopropyl-4-[2-nitro-1-(4-propargyloxyphenyl)propyl]benzene Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-5-14-25-20-12-10-19(11-13-20)21(16(4)22(23)24)18-8-6-17(7-9-18)15(2)3/h1,6-13,15-16,21H,14H2,2-4H3