ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c1-2-26-19(23)14-8-13(9-15(10-14)21(24)25)18(22)20-11-12-3-4-16-17(7-12)28-6-5-27-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,20,22)