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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-3-4-11(2)18-15(21)10-25-16(22)13-9-12(19(23)24)5-6-14(13)17-7-8-20/h5-6,9,11,17,20H,3-4,7-8,10H2,1-2H3,(H,18,21)