ethyl 2-[2-butoxyethanoyl(6-oxidanylhexyl)amino]-5-nitro-benzoate

Systemtic Name: ethyl 2-[2-butoxyethanoyl(6-oxidanylhexyl)amino]-5-nitro-benzoate Openeye Name: ethyl 2-[(2-butoxyacetyl)-(6-hydroxyhexyl)amino]-5-nitro-benzoate CAS Name: 2-[(2-butoxy-1-oxoethyl)-(6-hydroxyhexyl)amino]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-butoxyacetyl)-(6-hydroxyhexyl)amino]-5-nitrobenzoate Traditional Name: 2-[(2-butoxyacetyl)-(6-hydroxyhexyl)amino]-5-nitro-benzoic acid ethyl ester Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)N(CCCCCCO)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCOCC(=O)N(CCCCCCO)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H32N2O7/c1-3-5-14-29-16-20(25)22(12-8-6-7-9-13-24)19-11-10-17(23(27)28)15-18(19)21(26)30-4-2/h10-11,15,24H,3-9,12-14,16H2,1-2H3