ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-2-27-20(24)15-10-14(11-16(12-15)22(25)26)19(23)21-6-5-13-3-4-17-18(9-13)29-8-7-28-17/h3-4,9-12H,2,5-8H2,1H3,(H,21,23)