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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C22H16N6O5 MolecularWeight: 444.39964

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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=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O5/c29-22(16-7-3-5-13-4-1-2-6-15(13)16)27-26-21-19(28(30)31)20(23-11-24-21)25-14-8-9-17-18(10-14)33-12-32-17/h1-11H,12H2,(H,27,29)(H2,23,24,25,26)