[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (4E)-4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C2CCC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=NC4=CC=CC=C41

InChI

InChI=1S/C26H25N3O5/c1-16(2)27-23(30)15-34-26(31)24-20-10-3-4-12-22(20)28-25-18(8-6-11-21(24)25)13-17-7-5-9-19(14-17)29(32)33/h3-5,7,9-10,12-14,16H,6,8,11,15H2,1-2H3,(H,27,30)/b18-13+