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

Systemtic Name: azepan-1-yl-[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazol-3-yl]methanone Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O4/c18-14-11-13(22(24)25)5-6-16(14)26-12-21-10-7-15(19-21)17(23)20-8-3-1-2-4-9-20/h5-7,10-11H,1-4,8-9,12H2