[(2S)-7-chloranyl-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl benzoate

Systemtic Name: [(2S)-7-chloranyl-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl benzoate Openeye Name: [(2S)-7-chloro-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-7-chloro-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ester IUPAC Name: [(2S)-7-chloro-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-7-chloro-5-nitro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C(=CC(=C2)Cl)[N+](=O)[O-])COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](OC2=C(O1)C(=CC(=C2)Cl)[N+](=O)[O-])COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClNO6/c17-11-6-13(18(20)21)15-14(7-11)24-12(8-22-15)9-23-16(19)10-4-2-1-3-5-10/h1-7,12H,8-9H2/t12-/m0/s1