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

Systemtic Name: 3-chloranyl-N'-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(allylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-(prop-2-enylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(allylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C14H13ClN6O3 MolecularWeight: 348.74442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O3/c1-2-6-16-12-11(21(23)24)13(18-8-17-12)19-20-14(22)9-4-3-5-10(15)7-9/h2-5,7-8H,1,6H2,(H,20,22)(H2,16,17,18,19)