1,4-bis(1-adamantyl)-3-methyl-5-nitro-pyrazole

Systemtic Name: 1,4-bis(1-adamantyl)-3-methyl-5-nitro-pyrazole Openeye Name: 1,4-bis(1-adamantyl)-3-methyl-5-nitro-pyrazole CAS Name: 1,4-bis(1-adamantyl)-3-methyl-5-nitropyrazole IUPAC Name: 1,4-bis(1-adamantyl)-3-methyl-5-nitropyrazole Traditional Name: 1,4-bis(1-adamantyl)-3-methyl-5-nitro-pyrazole Formula: C24H33N3O2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=NN(C(=C1C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C24H33N3O2/c1-14-21(23-8-15-2-16(9-23)4-17(3-15)10-23)22(27(28)29)26(25-14)24-11-18-5-19(12-24)7-20(6-18)13-24/h15-20H,2-13H2,1H3