(2R,4E)-4-[(4-chloranyl-3-nitro-phenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2R,4E)-4-[(4-chloranyl-3-nitro-phenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2R,4E)-4-[(4-chloro-3-nitro-phenyl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4E)-4-[(4-chloro-3-nitrophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2R,4E)-4-[(4-chloro-3-nitrophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4E)-4-(4-chloro-3-nitro-benzylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Formula: C22H16ClN2O4- MolecularWeight: 407.82644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C/C(=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C22H17ClN2O4/c1-12-8-14(10-13-6-7-17(23)19(11-13)25(28)29)21-16(9-12)20(22(26)27)15-4-2-3-5-18(15)24-21/h2-7,10-12H,8-9H2,1H3,(H,26,27)/p-1/b14-10+/t12-/m1/s1