1,3-benzodioxol-5-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid piperonyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7/c22-19(26-11-13-1-4-17-18(9-13)28-12-27-17)14-2-3-15(16(10-14)21(23)24)20-5-7-25-8-6-20/h1-4,9-10H,5-8,11-12H2