(E)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-(3-oxidanylpropyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-(3-oxidanylpropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N-(3-hydroxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-(3-hydroxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-(3-hydroxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N-(3-hydroxypropyl)acrylamide Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=C(C#N)C(=O)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c14-7-9(13(20)15-2-1-3-17)4-8-5-10(16(21)22)12(19)11(18)6-8/h4-6,17-19H,1-3H2,(H,15,20)/b9-4+