2-[4-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]phenoxy]acetonitrile Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-])OCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C17H12N2O5/c18-9-10-24-14-5-3-13(4-6-14)16(20)7-1-12-2-8-17(21)15(11-12)19(22)23/h1-8,11,21H,10H2/b7-1+