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

Systemtic Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide Openeye Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-N-[(4-chlorophenyl)methyl]-2-cyano-prop-2-enamide CAS Name: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-N-[(4-chlorophenyl)methyl]-2-cyano-2-propenamide IUPAC Name: 3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide Traditional Name: 3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-N-(4-chlorobenzyl)-2-cyano-acrylamide Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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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=C(C=C3)Cl)[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=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H24ClN3O4/c1-27(2,3)21-7-11-23(12-8-21)35-25-13-6-19(15-24(25)31(33)34)14-20(16-29)26(32)30-17-18-4-9-22(28)10-5-18/h4-15H,17H2,1-3H3,(H,30,32)