[(3S)-2-oxidanylideneoxolan-3-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7/c1-20-14-7-6-11(10-15(14)21(25)26)17(22)12-4-2-3-5-13(12)18(23)28-16-8-9-27-19(16)24/h2-7,10,16,20H,8-9H2,1H3/t16-/m0/s1