azepan-1-yl-[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]methanone Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c22-17(19-10-5-1-2-6-11-19)14-9-12-20(18-14)13-25-16-8-4-3-7-15(16)21(23)24/h3-4,7-9,12H,1-2,5-6,10-11,13H2