(3E)-3-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (3E)-3-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate IUPAC Name: (3E)-3-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-(3-methoxy-5-nitro-4-oxido-benzylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Formula: C21H14N2O6-2 MolecularWeight: 390.34566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2CCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\CCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

InChI

InChI=1S/C21H16N2O6/c1-29-17-10-11(9-16(20(17)24)23(27)28)8-12-6-7-14-18(21(25)26)13-4-2-3-5-15(13)22-19(12)14/h2-5,8-10,24H,6-7H2,1H3,(H,25,26)/p-2/b12-8+