1,2,3-trimethoxy-5-[2-(4-methyl-3-nitro-phenyl)ethynyl]benzene

Systemtic Name: 1,2,3-trimethoxy-5-[2-(4-methyl-3-nitro-phenyl)ethynyl]benzene Openeye Name: 1,2,3-trimethoxy-5-[2-(4-methyl-3-nitro-phenyl)ethynyl]benzene CAS Name: 1,2,3-trimethoxy-5-[2-(4-methyl-3-nitrophenyl)ethynyl]benzene IUPAC Name: 1,2,3-trimethoxy-5-[2-(4-methyl-3-nitrophenyl)ethynyl]benzene Traditional Name: 1,2,3-trimethoxy-5-[2-(4-methyl-3-nitro-phenyl)ethynyl]benzene Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#CC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C#CC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c1-12-5-6-13(9-15(12)19(20)21)7-8-14-10-16(22-2)18(24-4)17(11-14)23-3/h5-6,9-11H,1-4H3