[4-[(1-ethylazepan-2-yl)methyl]-2-nitro-phenyl] ethanoate

Systemtic Name: [4-[(1-ethylazepan-2-yl)methyl]-2-nitro-phenyl] ethanoate Openeye Name: [4-[(1-ethylazepan-2-yl)methyl]-2-nitro-phenyl] acetate CAS Name: acetic acid [4-[(1-ethyl-2-azepanyl)methyl]-2-nitrophenyl] ester IUPAC Name: [4-[(1-ethylazepan-2-yl)methyl]-2-nitrophenyl] acetate Traditional Name: acetic acid [4-[(1-ethylazepan-2-yl)methyl]-2-nitro-phenyl] ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCCC1CC2=CC(=C(C=C2)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCCCC1CC2=CC(=C(C=C2)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-3-18-10-6-4-5-7-15(18)11-14-8-9-17(23-13(2)20)16(12-14)19(21)22/h8-9,12,15H,3-7,10-11H2,1-2H3