[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-14(2)17-5-3-4-6-18(17)23-19(25)13-30-20(26)11-12-22-21(27)15-7-9-16(10-8-15)24(28)29/h3-10,14H,11-13H2,1-2H3,(H,22,27)(H,23,25)