[(3S)-2-oxidanylideneoxolan-3-yl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c21-17(26-16-8-9-25-18(16)22)13-6-7-14(15(10-13)20(23)24)19-11-12-4-2-1-3-5-12/h1-7,10,16,19H,8-9,11H2/t16-/m0/s1