ethyl 3-(azepan-1-ylcarbonyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(azepan-1-ylcarbonyl)-5-nitro-benzoate Openeye Name: ethyl 3-(azepane-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[1-azepanyl(oxo)methyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(azepane-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(azepane-1-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-2-23-16(20)13-9-12(10-14(11-13)18(21)22)15(19)17-7-5-3-4-6-8-17/h9-11H,2-8H2,1H3