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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(benzylamino)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C18H14ClN7O5 MolecularWeight: 443.80066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN7O5/c19-13-7-6-12(8-14(13)25(28)29)18(27)24-23-17-15(26(30)31)16(21-10-22-17)20-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,27)(H2,20,21,22,23)