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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1-adamantyl)-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-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (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-(1-adamantyl)-2-keto-ethyl] ester Formula: C33H32N2O5 MolecularWeight: 536.61758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H32N2O5/c36-29(33-16-21-11-22(17-33)13-23(12-21)18-33)19-40-32(37)30-26-8-1-2-10-28(26)34-31-24(6-4-9-27(30)31)14-20-5-3-7-25(15-20)35(38)39/h1-3,5,7-8,10,14-15,21-23H,4,6,9,11-13,16-19H2/b24-14+