hexyl 4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: hexyl 4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]benzoate Openeye Name: hexyl 4-[(2-chloro-5-nitro-benzoyl)amino]benzoate CAS Name: 4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(2-chloro-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(2-chloro-5-nitro-benzoyl)amino]benzoic acid hexyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O5/c1-2-3-4-5-12-28-20(25)14-6-8-15(9-7-14)22-19(24)17-13-16(23(26)27)10-11-18(17)21/h6-11,13H,2-5,12H2,1H3,(H,22,24)