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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(3-nitrophenyl)acrylonitrile Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O4/c1-2-24-16-8-11(7-15(18)17(16)21)6-13(10-19)12-4-3-5-14(9-12)20(22)23/h3-9,21H,2H2,1H3