(E)-2-(4-nitrophenyl)carbonyl-3-octoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-(4-nitrophenyl)carbonyl-3-octoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-hydroxy-2-(4-nitrobenzoyl)-3-octoxy-prop-2-enenitrile CAS Name: (E)-3-hydroxy-2-[(4-nitrophenyl)-oxomethyl]-3-octoxy-2-propenenitrile IUPAC Name: (E)-3-hydroxy-2-(4-nitrobenzoyl)-3-octoxyprop-2-enenitrile Traditional Name: (E)-3-hydroxy-2-(4-nitrobenzoyl)-3-octoxy-acrylonitrile Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=C(C#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCO/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)[N+](=O)[O-])/O

InChI

InChI=1S/C18H22N2O5/c1-2-3-4-5-6-7-12-25-18(22)16(13-19)17(21)14-8-10-15(11-9-14)20(23)24/h8-11,22H,2-7,12H2,1H3/b18-16+