(1-methyl-4-nitro-pyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone

Systemtic Name: (1-methyl-4-nitro-pyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone Openeye Name: [2-(3-methylisoxazol-5-yl)azepan-1-yl]-(1-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [2-(3-methyl-5-isoxazolyl)-1-azepanyl]-(1-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: (1-methyl-4-nitropyrazol-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone Traditional Name: [2-(3-methylisoxazol-5-yl)azepan-1-yl]-(1-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2CCCCCN2C(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=NOC(=C1)C2CCCCCN2C(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

InChI=1S/C15H19N5O4/c1-10-8-13(24-17-10)11-6-4-3-5-7-19(11)15(21)14-12(20(22)23)9-18(2)16-14/h8-9,11H,3-7H2,1-2H3