[(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [(3S,5S)-5-methyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S,5S)-5-methyl-2-oxooxolan-3-yl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [(3S,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-11-9-17(20(25)28-11)29-19(24)14-6-4-3-5-13(14)18(23)12-7-8-15(21-2)16(10-12)22(26)27/h3-8,10-11,17,21H,9H2,1-2H3/t11-,17-/m0/s1