[(2S)-4-chloranyl-5-oxidanylidene-3-phenylazanyl-2H-furan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2S)-4-chloranyl-5-oxidanylidene-3-phenylazanyl-2H-furan-2-yl] 4-nitrobenzoate Openeye Name: [(2S)-3-anilino-4-chloro-5-oxo-2H-furan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-3-anilino-4-chloro-5-oxo-2H-furan-2-yl] ester IUPAC Name: [(2S)-3-anilino-4-chloro-5-oxo-2H-furan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-3-anilino-4-chloro-5-keto-2H-furan-2-yl] ester Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=O)OC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=O)O[C@@H]2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN2O6/c18-13-14(19-11-4-2-1-3-5-11)17(26-16(13)22)25-15(21)10-6-8-12(9-7-10)20(23)24/h1-9,17,19H/t17-/m0/s1