(E)-2-(4-tert-butylphenyl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-(4-hydroxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-nitro-phenyl)acrylonitrile Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-20(2,3)16-7-5-14(6-8-16)19(24)15(12-21)10-13-4-9-18(23)17(11-13)22(25)26/h4-11,23H,1-3H3/b15-10+