(E)-1-(4-methylphenyl)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydroxy-5-nitro-phenyl)-1-(p-tolyl)prop-2-en-1-one Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c1-10-2-5-12(6-3-10)14(18)7-4-11-8-13(17(21)22)16(20)15(19)9-11/h2-9,19-20H,1H3/b7-4+