ethyl 2-[2-butoxyethanoyl(hex-5-enyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[2-butoxyethanoyl(hex-5-enyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-butoxyacetyl)-hex-5-enyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-butoxy-1-oxoethyl)-hex-5-enylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-butoxyacetyl)-hex-5-enylamino]-4-nitrobenzoate Traditional Name: 2-[(2-butoxyacetyl)-hex-5-enyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6/c1-4-7-9-10-13-22(20(24)16-28-14-8-5-2)19-15-17(23(26)27)11-12-18(19)21(25)29-6-3/h4,11-12,15H,1,5-10,13-14,16H2,2-3H3