(E)-1-(2-methyl-3,5-dinitro-phenyl)-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-(2-methyl-3,5-dinitro-phenyl)-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-(2-methyl-3,5-dinitro-phenyl)-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-(2-methyl-3,5-dinitrophenyl)-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-(2-methyl-3,5-dinitrophenyl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-(2-methyl-3,5-dinitro-phenyl)-3-phenyl-prop-2-en-1-one Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)C=CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c1-11-14(9-13(17(20)21)10-15(11)18(22)23)16(19)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+