3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(3-bromo-4-hexoxy-5-methoxy-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-hexoxy-5-methoxyphenyl)-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(3-bromo-4-hexoxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(3-bromo-4-hexoxy-5-methoxy-phenyl)-2-(4-nitrophenyl)acrylonitrile Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23BrN2O4/c1-3-4-5-6-11-29-22-20(23)13-16(14-21(22)28-2)12-18(15-24)17-7-9-19(10-8-17)25(26)27/h7-10,12-14H,3-6,11H2,1-2H3