(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H19ClN2O7 MolecularWeight: 422.81636

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O7/c1-26-5-4-21-15-3-2-13(10-16(15)22(24)25)19(23)29-11-12-8-14(20)18-17(9-12)27-6-7-28-18/h2-3,8-10,21H,4-7,11H2,1H3