[(1S)-2-oxidanylidenecyclohexyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3CCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@H]3CCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O5/c22-17-7-3-4-8-18(17)26-19(23)14-9-10-15(16(13-14)21(24)25)20-11-5-1-2-6-12-20/h9-10,13,18H,1-8,11-12H2/t18-/m0/s1