(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enal

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enal Openeye Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enal CAS Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenal IUPAC Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enal Traditional Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrolein Formula: C10H9NO5 MolecularWeight: 223.18216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C=O

InChI

InChI=1S/C10H9NO5/c1-16-9-6-7(3-2-4-12)5-8(10(9)13)11(14)15/h2-6,13H,1H3/b3-2+