3-chloranyl-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(benzylamino)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide Traditional Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-3-chloro-benzohydrazide Formula: C18H15ClN6O3 MolecularWeight: 398.8031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O3/c19-14-8-4-7-13(9-14)18(26)24-23-17-15(25(27)28)16(21-11-22-17)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,26)(H2,20,21,22,23)