ethyl 2-[butyl(2-phenoxyethanoyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[butyl(2-phenoxyethanoyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[butyl-(2-phenoxyacetyl)amino]-4-nitro-benzoate CAS Name: 2-[butyl-(1-oxo-2-phenoxyethyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[butyl-(2-phenoxyacetyl)amino]-4-nitrobenzoate Traditional Name: 2-[butyl-(2-phenoxyacetyl)amino]-4-nitro-benzoic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-3-5-13-22(20(24)15-29-17-9-7-6-8-10-17)19-14-16(23(26)27)11-12-18(19)21(25)28-4-2/h6-12,14H,3-5,13,15H2,1-2H3