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

Systemtic Name: methyl 3-(azepan-1-ylcarbonyl)-5-nitro-benzoate Openeye Name: methyl 3-(azepane-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[1-azepanyl(oxo)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(azepane-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(azepane-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-22-15(19)12-8-11(9-13(10-12)17(20)21)14(18)16-6-4-2-3-5-7-16/h8-10H,2-7H2,1H3