3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-(3-nitrophenyl)acrylonitrile Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H21BrN2O4/c1-4-14(3)28-21-19(22)10-15(11-20(21)27-5-2)9-17(13-23)16-7-6-8-18(12-16)24(25)26/h6-12,14H,4-5H2,1-3H3