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

Systemtic Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-prop-2-enamide CAS Name: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-cyano-acrylamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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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)NCC3=CC=CC=C3)[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)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O4/c1-27(2,3)22-10-12-23(13-11-22)34-25-14-9-20(16-24(25)30(32)33)15-21(17-28)26(31)29-18-19-7-5-4-6-8-19/h4-16H,18H2,1-3H3,(H,29,31)