3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitro-pyrazole

Systemtic Name: 3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitro-pyrazole Openeye Name: 3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitro-pyrazole CAS Name: 3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitropyrazole IUPAC Name: 3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitropyrazole Traditional Name: 3-methoxy-5-methyl-1-[(E)-3-methylpent-2-en-4-ynyl]-4-nitro-pyrazole Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC=C(C)C#C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C/C=C(\C)/C#C)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3/c1-5-8(2)6-7-13-9(3)10(14(15)16)11(12-13)17-4/h1,6H,7H2,2-4H3/b8-6+