[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-11(2)9-18-15(20)10-25-16(21)13-8-12(19(22)23)4-5-14(13)17-6-7-24-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,20)