N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C18H16N4O5/c1-21(10-17-19-12-4-2-3-5-13(12)20-17)18(23)11-8-15-16(27-7-6-26-15)9-14(11)22(24)25/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)