N-(2-dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-1-dibenzo-p-dioxincarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitrodibenzo-p-dioxin-1-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC2=C1OC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC2=C1OC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-19(2)8-7-18-17(21)12-9-11(20(22)23)10-15-16(12)25-14-6-4-3-5-13(14)24-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)