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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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