[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-11(2)5-6-18-15(21)10-25-16(22)13-9-12(19(23)24)3-4-14(13)17-7-8-20/h3-4,9,11,17,20H,5-8,10H2,1-2H3,(H,18,21)