N-[3-[ethyl(phenyl)amino]propyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[3-(N-ethylanilino)propyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5/c1-2-22(15-7-4-3-5-8-15)10-6-9-21-20(24)16-13-18-19(28-12-11-27-18)14-17(16)23(25)26/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H,21,24)