4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N1S(=O)(=O)C3=CNC(=C3)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N1S(=O)(=O)C3=CNC(=C3)C(=O)O

InChI

InChI=1S/C13H12N2O5S/c16-13(17)10-7-9(8-14-10)21(18,19)15-5-6-20-12-4-2-1-3-11(12)15/h1-4,7-8,14H,5-6H2,(H,16,17)