[2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[phenyl(propan-2-yl)amino]phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[4-(N-isopropylanilino)anilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[4-(N-isopropylanilino)anilino]-2-keto-ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-15(2)24(17-6-4-3-5-7-17)18-10-8-16(9-11-18)23-20(26)14-30-22(27)19-12-13-21(31-19)25(28)29/h3-13,15H,14H2,1-2H3,(H,23,26)