[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 2,3-bis(2-furyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(2-furanyl)-6-quinoxalinecarboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(2-furyl)quinoxaline-6-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C27H20BrN3O5 MolecularWeight: 546.3688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

InChI

InChI=1S/C27H20BrN3O5/c1-2-21(26(32)31-18-8-4-3-7-17(18)28)36-27(33)16-11-12-19-20(15-16)30-25(23-10-6-14-35-23)24(29-19)22-9-5-13-34-22/h3-15,21H,2H2,1H3,(H,31,32)