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

Systemtic Name: azepan-1-yl-[5-[(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]methanone Openeye Name: azepan-1-yl-[5-[(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-furyl]methanone CAS Name: 1-azepanyl-[5-[(4-chloro-5-methyl-3-nitro-1-pyrazolyl)methyl]-2-furanyl]methanone IUPAC Name: azepan-1-yl-[5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-yl]methanone Traditional Name: azepan-1-yl-[5-[(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)methyl]-2-furyl]methanone Formula: C16H19ClN4O4 MolecularWeight: 366.79946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCCCCC3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCCCCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN4O4/c1-11-14(17)15(21(23)24)18-20(11)10-12-6-7-13(25-12)16(22)19-8-4-2-3-5-9-19/h6-7H,2-5,8-10H2,1H3