ethyl 2-[hexyl(2-phenylmethoxyethanoyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[hexyl(2-phenylmethoxyethanoyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-benzyloxyacetyl)-hexyl-amino]-4-nitro-benzoate CAS Name: 2-[hexyl-(1-oxo-2-phenylmethoxyethyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[hexyl-(2-phenylmethoxyacetyl)amino]-4-nitrobenzoate Traditional Name: 2-[(2-benzoxyacetyl)-hexyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O6/c1-3-5-6-10-15-25(23(27)18-31-17-19-11-8-7-9-12-19)22-16-20(26(29)30)13-14-21(22)24(28)32-4-2/h7-9,11-14,16H,3-6,10,15,17-18H2,1-2H3