(E)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O6S/c1-30-23-14-18(13-21(15-24)32(28,29)20-5-3-2-4-6-20)9-12-22(23)31-16-17-7-10-19(11-8-17)25(26)27/h2-14H,16H2,1H3/b21-13+