(E)-3-[2-nitro-5-(3-oxidanylpropoxy)phenyl]prop-2-enal

Systemtic Name: (E)-3-[2-nitro-5-(3-oxidanylpropoxy)phenyl]prop-2-enal Openeye Name: (E)-3-[5-(3-hydroxypropoxy)-2-nitro-phenyl]prop-2-enal CAS Name: (E)-3-[5-(3-hydroxypropoxy)-2-nitrophenyl]-2-propenal IUPAC Name: (E)-3-[5-(3-hydroxypropoxy)-2-nitrophenyl]prop-2-enal Traditional Name: (E)-3-[5-(3-hydroxypropoxy)-2-nitro-phenyl]acrolein Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCO)C=CC=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCO)/C=C/C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c14-6-1-3-10-9-11(18-8-2-7-15)4-5-12(10)13(16)17/h1,3-6,9,15H,2,7-8H2/b3-1+