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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClN2O7 MolecularWeight: 408.78978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)Cl

InChI

InChI=1S/C18H17ClN2O7/c19-13-5-11-8-26-10-28-17(11)12(6-13)9-27-18(23)15-7-14(21(24)25)1-2-16(15)20-3-4-22/h1-2,5-7,20,22H,3-4,8-10H2