(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C21H16N2O5/c1-3-10-28-19-9-8-15(12-20(19)27-4-2)11-17(14-22)21(24)16-6-5-7-18(13-16)23(25)26/h1,5-9,11-13H,4,10H2,2H3/b17-11+