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

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)-N-(2-phenoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-(2-phenoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(2-phenoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-nitro-phenyl)-N-(2-phenoxyphenyl)acrylamide Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H15N3O5/c23-14-16(12-15-10-11-20(26)19(13-15)25(28)29)22(27)24-18-8-4-5-9-21(18)30-17-6-2-1-3-7-17/h1-13,26H,(H,24,27)/b16-12+