N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-2-furohydrazide Formula: C16H12N6O6 MolecularWeight: 384.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O6/c23-16(11-2-1-5-26-11)21-20-15-13(22(24)25)14(17-7-18-15)19-9-3-4-10-12(6-9)28-8-27-10/h1-7H,8H2,(H,21,23)(H2,17,18,19,20)