butyl 4-[[2-(2-methoxyethylamino)-5-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-(2-methoxyethylamino)-5-nitro-phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-(2-methoxyethylamino)-5-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[2-(2-methoxyethylamino)-5-nitrophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-methoxyethylamino)-5-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[2-(2-methoxyethylamino)-5-nitro-benzoyl]amino]benzoic acid butyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H25N3O6/c1-3-4-12-30-21(26)15-5-7-16(8-6-15)23-20(25)18-14-17(24(27)28)9-10-19(18)22-11-13-29-2/h5-10,14,22H,3-4,11-13H2,1-2H3,(H,23,25)