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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H14N6O5 MolecularWeight: 394.34096

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O5/c25-18(11-4-2-1-3-5-11)23-22-17-15(24(26)27)16(19-9-20-17)21-12-6-7-13-14(8-12)29-10-28-13/h1-9H,10H2,(H,23,25)(H2,19,20,21,22)