(E)-N-(4-butylphenyl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-butylphenyl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-butylphenyl)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(4-butylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-butylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-butylphenyl)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)acrylamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O4/c1-2-3-4-14-5-8-17(9-6-14)22-20(25)16(13-21)11-15-7-10-19(24)18(12-15)23(26)27/h5-12,24H,2-4H2,1H3,(H,22,25)/b16-11+