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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C18H12ClN7O7 MolecularWeight: 473.78358

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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(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN7O7/c19-11-3-1-9(5-12(11)25(28)29)18(27)24-23-17-15(26(30)31)16(20-7-21-17)22-10-2-4-13-14(6-10)33-8-32-13/h1-7H,8H2,(H,24,27)(H2,20,21,22,23)