N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C15H17N7O6 MolecularWeight: 391.33878

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C(=NC=N1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=C(C(=NC=N1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N7O6/c1-9(7-28-2)18-13-12(22(26)27)14(17-8-16-13)19-20-15(23)10-4-3-5-11(6-10)21(24)25/h3-6,8-9H,7H2,1-2H3,(H,20,23)(H2,16,17,18,19)