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

Systemtic Name: (2R,4E)-2-methyl-4-[[4-(methylamino)-3-nitro-phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2R,4E)-2-methyl-4-[[4-(methylamino)-3-nitro-phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4E)-2-methyl-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2R,4E)-2-methyl-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4E)-2-methyl-4-[4-(methylamino)-3-nitro-benzylidene]-2,3-dihydro-1H-acridine-9-carboxylate Formula: C23H20N3O4- MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N3O4/c1-13-9-15(11-14-7-8-19(24-2)20(12-14)26(29)30)22-17(10-13)21(23(27)28)16-5-3-4-6-18(16)25-22/h3-8,11-13,24H,9-10H2,1-2H3,(H,27,28)/p-1/b15-11+/t13-/m1/s1