(2R)-6-chloranyl-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2R)-6-chloranyl-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2R)-6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2R)-6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-6-chloro-4-(2-nitrobenzyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C16H12ClN2O7S- MolecularWeight: 411.79368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H13ClN2O7S/c17-11-5-6-14-13(7-11)18(8-15(26-14)16(20)21)27(24,25)9-10-3-1-2-4-12(10)19(22)23/h1-7,15H,8-9H2,(H,20,21)/p-1/t15-/m1/s1