2-methyl-1-(2-methylpropyl)-3-nitro-7-phenylmethoxy-pyrrolo[2,3-d]pyridazine

Systemtic Name: 2-methyl-1-(2-methylpropyl)-3-nitro-7-phenylmethoxy-pyrrolo[2,3-d]pyridazine Openeye Name: 7-benzyloxy-1-isobutyl-2-methyl-3-nitro-pyrrolo[2,3-d]pyridazine CAS Name: 2-methyl-1-(2-methylpropyl)-3-nitro-7-phenylmethoxypyrrolo[2,3-d]pyridazine IUPAC Name: 2-methyl-1-(2-methylpropyl)-3-nitro-7-phenylmethoxypyrrolo[2,3-d]pyridazine Traditional Name: 7-benzoxy-1-isobutyl-2-methyl-3-nitro-pyrrolo[2,3-d]pyridazine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CN=NC(=C2N1CC(C)C)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CN=NC(=C2N1CC(C)C)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-12(2)10-21-13(3)16(22(23)24)15-9-19-20-18(17(15)21)25-11-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3