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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (4E)-4-[(4-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (4E)-4-[(4-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5/c1-17(2)15-28-24(31)16-35-27(32)25-21-7-3-4-9-23(21)29-26-19(6-5-8-22(25)26)14-18-10-12-20(13-11-18)30(33)34/h3-4,7,9-14,17H,5-6,8,15-16H2,1-2H3,(H,28,31)/b19-14+