4-chloranyl-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: 4-chloranyl-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C16H18ClN9O5 MolecularWeight: 451.82442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN9O5/c1-23-4-6-24(7-5-23)22-15-13(26(30)31)14(18-9-19-15)20-21-16(27)10-2-3-11(17)12(8-10)25(28)29/h2-3,8-9H,4-7H2,1H3,(H,21,27)(H2,18,19,20,22)