N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5/c16-12(9-4-8(5-13-9)15(17)18)14-7-1-2-10-11(3-7)20-6-19-10/h1-5,13H,6H2,(H,14,16)