ethyl 2-[2-butoxyethanoyl(decyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[2-butoxyethanoyl(decyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-butoxyacetyl)-decyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-butoxy-1-oxoethyl)-decylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-butoxyacetyl)-decylamino]-4-nitrobenzoate Traditional Name: 2-[(2-butoxyacetyl)-decyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C25H40N2O6 MolecularWeight: 464.5949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCCCC

Isomeric SMILES

CCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COCCCC

InChI

InChI=1S/C25H40N2O6/c1-4-7-9-10-11-12-13-14-17-26(24(28)20-32-18-8-5-2)23-19-21(27(30)31)15-16-22(23)25(29)33-6-3/h15-16,19H,4-14,17-18,20H2,1-3H3