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

Systemtic Name: 1,3-benzodioxol-5-yl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c21-18(27-13-2-4-16-17(10-13)26-11-25-16)12-1-3-14(15(9-12)20(22)23)19-5-7-24-8-6-19/h1-4,9-10H,5-8,11H2