[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C19H21N3O5/c1-12(2)14-6-4-5-7-17(14)21-18(23)11-27-19(24)15-10-13(22(25)26)8-9-16(15)20-3/h4-10,12,20H,11H2,1-3H3,(H,21,23)