6-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(4-methyl-3-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(4-methyl-3-nitrophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C16H13N2O8S- MolecularWeight: 393.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O8S/c1-9-2-3-10(6-13(9)18(21)22)27(23,24)17-12-8-15-14(25-4-5-26-15)7-11(12)16(19)20/h2-3,6-8,17H,4-5H2,1H3,(H,19,20)/p-1