[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-keto-ethyl] ester Formula: C27H20BrN3O6 MolecularWeight: 562.3682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H20BrN3O6/c1-34-20-7-3-16(4-8-20)24-22(12-29)26(37-25(24)17-5-9-21(35-2)10-6-17)31-23(32)15-36-27(33)18-11-19(28)14-30-13-18/h3-11,13-14H,15H2,1-2H3,(H,31,32)