[4-(butylcarbamoyl)-2-nitro-phenyl] benzoate

Systemtic Name: [4-(butylcarbamoyl)-2-nitro-phenyl] benzoate Openeye Name: [4-(butylcarbamoyl)-2-nitro-phenyl] benzoate CAS Name: benzoic acid [4-[butylamino(oxo)methyl]-2-nitrophenyl] ester IUPAC Name: [4-(butylcarbamoyl)-2-nitrophenyl] benzoate Traditional Name: benzoic acid [4-(butylcarbamoyl)-2-nitro-phenyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-2-3-11-19-17(21)14-9-10-16(15(12-14)20(23)24)25-18(22)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H,19,21)