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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6/c23-17-6-5-11-21(17)18(24)13-28-19(25)14-7-8-15(16(12-14)22(26)27)20-9-3-1-2-4-10-20/h7-8,12H,1-6,9-11,13H2