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

Systemtic Name: 3-nitro-N'-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(benzylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C18H15N7O5 MolecularWeight: 409.3556

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O5/c26-18(13-7-4-8-14(9-13)24(27)28)23-22-17-15(25(29)30)16(20-11-21-17)19-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,23,26)(H2,19,20,21,22)