(E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enal

Systemtic Name: (E)-2-methyl-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enal Openeye Name: (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-prop-2-enal CAS Name: (E)-3-(2-hydroxy-5-nitrophenyl)-2-methyl-2-propenal IUPAC Name: (E)-3-(2-hydroxy-5-nitrophenyl)-2-methylprop-2-enal Traditional Name: (E)-3-(2-hydroxy-5-nitro-phenyl)-2-methyl-acrolein Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4/c1-7(6-12)4-8-5-9(11(14)15)2-3-10(8)13/h2-6,13H,1H3/b7-4+