2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate Openeye Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-4-quinolinecarboxylic acid 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl ester IUPAC Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)cinchoninic acid 2-[(4-nitrobenzofurazan-5-yl)amino]ethyl ester Formula: C28H25N5O6 MolecularWeight: 527.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCNC4=C(C5=NON=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCNC4=C(C5=NON=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H25N5O6/c1-2-3-15-37-19-10-8-18(9-11-19)25-17-21(20-6-4-5-7-22(20)30-25)28(34)38-16-14-29-24-13-12-23-26(32-39-31-23)27(24)33(35)36/h4-13,17,29H,2-3,14-16H2,1H3