quinolin-8-ylmethyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: quinolin-8-ylmethyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: 8-quinolylmethyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid 8-quinolylmethyl ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5/c1-26-21-12-11-17(14-22(21)28(31)32)24(29)19-9-2-3-10-20(19)25(30)33-15-18-7-4-6-16-8-5-13-27-23(16)18/h2-14,26H,15H2,1H3