2-(1,3-benzodioxol-5-yl)-3-nitro-imidazo[1,2-a]pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-nitro-imidazo[1,2-a]pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-nitro-imidazo[1,2-a]pyrimidine CAS Name: 2-(1,3-benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-nitro-imidazo[1,2-a]pyrimidine Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N4C=CC=NC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N4C=CC=NC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4/c18-17(19)12-11(15-13-14-4-1-5-16(12)13)8-2-3-9-10(6-8)21-7-20-9/h1-6H,7H2