ethyl (2E)-2-(3-bromanylphenalen-1-ylidene)-2-cyano-ethanoate

Systemtic Name: ethyl (2E)-2-(3-bromanylphenalen-1-ylidene)-2-cyano-ethanoate Openeye Name: ethyl (2E)-2-(3-bromophenalen-1-ylidene)-2-cyano-acetate CAS Name: (2E)-2-(3-bromo-1-phenalenylidene)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(3-bromophenalen-1-ylidene)-2-cyanoacetate Traditional Name: (2E)-2-(3-bromophenalen-1-ylidene)-2-cyano-acetic acid ethyl ester Formula: C18H12BrNO2 MolecularWeight: 354.19738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C=C(C2=CC=CC3=C2C1=CC=C3)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\C=C(C2=CC=CC3=C2C1=CC=C3)Br)/C#N

InChI

InChI=1S/C18H12BrNO2/c1-2-22-18(21)15(10-20)14-9-16(19)13-8-4-6-11-5-3-7-12(14)17(11)13/h3-9H,2H2,1H3/b15-14+