(E)-3-methyl-4-[3-nitro-4,5-bis(oxidanyl)phenyl]but-3-en-2-one

Systemtic Name: (E)-3-methyl-4-[3-nitro-4,5-bis(oxidanyl)phenyl]but-3-en-2-one Openeye Name: (E)-4-(3,4-dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en-2-one CAS Name: (E)-4-(3,4-dihydroxy-5-nitrophenyl)-3-methyl-3-buten-2-one IUPAC Name: (E)-4-(3,4-dihydroxy-5-nitrophenyl)-3-methylbut-3-en-2-one Traditional Name: (E)-4-(3,4-dihydroxy-5-nitro-phenyl)-3-methyl-but-3-en-2-one Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-6(7(2)13)3-8-4-9(12(16)17)11(15)10(14)5-8/h3-5,14-15H,1-2H3/b6-3+