1-phenyl-3-(2,4,5-trimethyl-3-nitro-phenyl)prop-2-yn-1-one

Systemtic Name: 1-phenyl-3-(2,4,5-trimethyl-3-nitro-phenyl)prop-2-yn-1-one Openeye Name: 1-phenyl-3-(2,4,5-trimethyl-3-nitro-phenyl)prop-2-yn-1-one CAS Name: 1-phenyl-3-(2,4,5-trimethyl-3-nitrophenyl)-2-propyn-1-one IUPAC Name: 1-phenyl-3-(2,4,5-trimethyl-3-nitrophenyl)prop-2-yn-1-one Traditional Name: 1-phenyl-3-(2,4,5-trimethyl-3-nitro-phenyl)prop-2-yn-1-one Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3/c1-12-11-16(14(3)18(13(12)2)19(21)22)9-10-17(20)15-7-5-4-6-8-15/h4-8,11H,1-3H3