[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6/c22-12-11-14-1-5-16(6-2-14)23-20(25)13-29-21(26)19-10-9-18(30-19)15-3-7-17(8-4-15)24(27)28/h1-10H,11,13H2,(H,23,25)