2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate Openeye Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-4-quinolinecarboxylic acid 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl ester IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)cinchoninic acid 2-[methyl-(7-nitrobenzofurazan-4-yl)amino]ethyl ester Formula: C29H27N5O6 MolecularWeight: 541.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCN(C)C4=CC=C(C5=NON=C45)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCN(C)C4=CC=C(C5=NON=C45)[N+](=O)[O-]

InChI

InChI=1S/C29H27N5O6/c1-3-4-16-38-20-11-9-19(10-12-20)24-18-22(21-7-5-6-8-23(21)30-24)29(35)39-17-15-33(2)25-13-14-26(34(36)37)28-27(25)31-40-32-28/h5-14,18H,3-4,15-17H2,1-2H3