[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O5/c1-2-18-9-5-8-14-24(18)21(26)16-30-22(27)17-10-11-19(20(15-17)25(28)29)23-12-6-3-4-7-13-23/h10-11,15,18H,2-9,12-14,16H2,1H3