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

Systemtic Name: 6-chloranyl-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 6-chloro-4-[(2-nitrophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 6-chloro-4-(2-nitrobenzyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C16H13ClN2O7S MolecularWeight: 412.80162

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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

C1C(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)