6-[(2-methoxy-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(2-methoxy-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(2-methoxy-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(2-methoxy-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(2-methoxy-5-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(2-methoxy-5-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3

InChI

InChI=1S/C16H14N2O9S/c1-25-12-3-2-9(18(21)22)6-15(12)28(23,24)17-11-8-14-13(26-4-5-27-14)7-10(11)16(19)20/h2-3,6-8,17H,4-5H2,1H3,(H,19,20)