2-[4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]phenoxy]acetonitrile Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)OCC#N

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C18H14N2O6/c1-25-17-11-12(10-15(18(17)22)20(23)24)2-7-16(21)13-3-5-14(6-4-13)26-9-8-19/h2-7,10-11,22H,9H2,1H3/b7-2+