[2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[2-(benzylcarbamoyl)anilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[2-[oxo-[(phenylmethyl)amino]methyl]anilino]ethyl] ester IUPAC Name: [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[2-(benzylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7/c25-18(13-30-21(27)17-10-11-19(31-17)24(28)29)23-16-9-5-4-8-15(16)20(26)22-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)(H,23,25)