(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclopropyl-acrylamide Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-23(2,3)17-5-9-19(10-6-17)30-21-11-4-15(13-20(21)26(28)29)12-16(14-24)22(27)25-18-7-8-18/h4-6,9-13,18H,7-8H2,1-3H3,(H,25,27)/b16-12+