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

Systemtic Name: (2S,4E)-2-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2S,4E)-2-methyl-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-methyl-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylate IUPAC Name: (2S,4E)-2-methyl-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-methyl-4-(3-nitro-4-piperidino-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylate Formula: C27H26N3O4- MolecularWeight: 456.51304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5C(=C4C1)C(=O)[O-]

Isomeric SMILES

C[C@H]1C/C(=C\C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])/C4=NC5=CC=CC=C5C(=C4C1)C(=O)[O-]

InChI

InChI=1S/C27H27N3O4/c1-17-13-19(26-21(14-17)25(27(31)32)20-7-3-4-8-22(20)28-26)15-18-9-10-23(24(16-18)30(33)34)29-11-5-2-6-12-29/h3-4,7-10,15-17H,2,5-6,11-14H2,1H3,(H,31,32)/p-1/b19-15+/t17-/m0/s1