(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19N3O11S MolecularWeight: 497.43266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O11S/c1-30-17-3-2-15(8-16(17)22(26)27)34(28,29)20-5-4-18(23)32-10-13-7-14(21(24)25)6-12-9-31-11-33-19(12)13/h2-3,6-8,20H,4-5,9-11H2,1H3