(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-(4-propylbenzoyl)acrylonitrile Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H18N2O5/c1-3-4-13-5-7-15(8-6-13)19(23)16(12-21)9-14-10-17(22(25)26)20(24)18(11-14)27-2/h5-11,24H,3-4H2,1-2H3/b16-9+