2-[(E)-2-(4-morpholin-4-yl-3-nitro-phenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(4-morpholin-4-yl-3-nitro-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-morpholino-3-nitro-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[4-(4-morpholinyl)-3-nitrophenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4-morpholin-4-yl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-morpholino-3-nitro-phenyl)vinyl]cinchoninic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c26-22(27)18-14-16(23-19-4-2-1-3-17(18)19)7-5-15-6-8-20(21(13-15)25(28)29)24-9-11-30-12-10-24/h1-8,13-14H,9-12H2,(H,26,27)/b7-5+