(2,4,6-trimethylphenyl) 3-(4-nitrophenyl)prop-2-ynoate

Systemtic Name: (2,4,6-trimethylphenyl) 3-(4-nitrophenyl)prop-2-ynoate Openeye Name: (2,4,6-trimethylphenyl) 3-(4-nitrophenyl)prop-2-ynoate CAS Name: 3-(4-nitrophenyl)-2-propynoic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 3-(4-nitrophenyl)prop-2-ynoate Traditional Name: 3-(4-nitrophenyl)propiolic acid mesityl ester Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4/c1-12-10-13(2)18(14(3)11-12)23-17(20)9-6-15-4-7-16(8-5-15)19(21)22/h4-5,7-8,10-11H,1-3H3