[2-bromanyl-4-[2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [2-bromanyl-4-[2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [2-bromo-4-[2-cyano-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-bromo-4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-bromo-4-[2-cyano-3-(2-fluoroanilino)-3-keto-prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C26H20BrFN2O5 MolecularWeight: 539.349803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)Br)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2F)Br)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H20BrFN2O5/c1-3-34-23-14-16(12-18(15-29)25(31)30-22-7-5-4-6-21(22)28)13-20(27)24(23)35-26(32)17-8-10-19(33-2)11-9-17/h4-14H,3H2,1-2H3,(H,30,31)