(E)-2-cyano-3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-N,N-diethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-N,N-diethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-N,N-diethyl-acrylamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OCC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+