[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-12(15(19)17-9-4-2-3-5-10-17)23-16(20)13-7-6-8-14(11-13)18(21)22/h6-8,11-12H,2-5,9-10H2,1H3