(Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: (Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: (Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (Z)-2-tert-butylsulfonyl-3-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C(=C\C1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)/C#N

InChI

InChI=1S/C21H22N2O6S/c1-21(2,3)30(26,27)18(13-22)11-16-7-10-19(20(12-16)28-4)29-14-15-5-8-17(9-6-15)23(24)25/h5-12H,14H2,1-4H3/b18-11-