(E)-3-(4-bromanyl-3-nitro-phenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O5/c1-10-2-5-12(9-14(10)18(21)22)16(20)7-4-11-3-6-13(17)15(8-11)19(23)24/h2-9H,1H3/b7-4+