hexyl 4-[(3-methyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: hexyl 4-[(3-methyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: hexyl 4-[(3-methyl-4-nitro-benzoyl)amino]benzoate CAS Name: 4-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(3-methyl-4-nitro-benzoyl)amino]benzoic acid hexyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-3-4-5-6-13-28-21(25)16-7-10-18(11-8-16)22-20(24)17-9-12-19(23(26)27)15(2)14-17/h7-12,14H,3-6,13H2,1-2H3,(H,22,24)