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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5/c18-14(16-8-3-1-2-4-9-16)11-22-15(19)12-6-5-7-13(10-12)17(20)21/h5-7,10H,1-4,8-9,11H2