ethyl 2-[2-hexoxyethanoyl(prop-2-enyl)amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[2-hexoxyethanoyl(prop-2-enyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[allyl-(2-hexoxyacetyl)amino]-4-nitro-benzoate CAS Name: 2-[(2-hexoxy-1-oxoethyl)-prop-2-enylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-hexoxyacetyl)-prop-2-enylamino]-4-nitrobenzoate Traditional Name: 2-[allyl-(2-hexoxyacetyl)amino]-4-nitro-benzoic acid ethyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6/c1-4-7-8-9-13-27-15-19(23)21(12-5-2)18-14-16(22(25)26)10-11-17(18)20(24)28-6-3/h5,10-11,14H,2,4,6-9,12-13,15H2,1,3H3