(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N2O10 MolecularWeight: 434.35362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N2O10/c1-3-29-17-6-14(15(21(25)26)7-16(17)27-2)19(22)30-9-12-5-13(20(23)24)4-11-8-28-10-31-18(11)12/h4-7H,3,8-10H2,1-2H3