hexyl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate

Systemtic Name: hexyl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: hexyl 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoic acid hexyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-3-4-5-6-11-31-21(26)15-7-9-17(10-8-15)22-20(25)16-12-18(23(27)28)14(2)19(13-16)24(29)30/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,25)