(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O7/c20-14-7-12(8-17-18(14)29-11-28-17)10-27-19(23)13-1-2-15(16(9-13)22(24)25)21-3-5-26-6-4-21/h1-2,7-9H,3-6,10-11H2