4-chloranyl-3-nitro-N'-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(allylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(allylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C14H12ClN7O5 MolecularWeight: 393.74198

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN7O5/c1-2-5-16-12-11(22(26)27)13(18-7-17-12)19-20-14(23)8-3-4-9(15)10(6-8)21(24)25/h2-4,6-7H,1,5H2,(H,20,23)(H2,16,17,18,19)