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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-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)17-10-6-2-3-7-11-17)23-16(20)13-8-4-5-9-14(13)18(21)22/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3