[2-oxidanylidene-2-(pentylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-4-5-6-9-17-15(20)11-24-16(21)13-10-12(19(22)23)7-8-14(13)18(2)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,20)