(E)-2-(4-tert-butylphenyl)carbonyl-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C21H20N2O5 MolecularWeight: 380.3939

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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)OC)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)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H20N2O5/c1-21(2,3)16-7-5-14(6-8-16)19(24)15(12-22)9-13-10-17(23(26)27)20(25)18(11-13)28-4/h5-11,25H,1-4H3/b15-9+