triethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butane-1,1,4-tricarboxylate

Systemtic Name: triethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butane-1,1,4-tricarboxylate Openeye Name: triethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-butane-1,1,4-tricarboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitrobutane-1,1,4-tricarboxylic acid triethyl ester IUPAC Name: triethyl 3-(1,3-benzodioxol-5-yl)-4-nitrobutane-1,1,4-tricarboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-butane-1,1,4-tricarboxylic acid triethyl ester Formula: C20H25NO10 MolecularWeight: 439.4132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C1=CC2=C(C=C1)OCO2)C(C(=O)OCC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(C1=CC2=C(C=C1)OCO2)C(C(=O)OCC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H25NO10/c1-4-27-18(22)14(19(23)28-5-2)10-13(17(21(25)26)20(24)29-6-3)12-7-8-15-16(9-12)31-11-30-15/h7-9,13-14,17H,4-6,10-11H2,1-3H3