ethyl 2-[2-methoxyethanoyl(octyl)amino]-5-nitro-benzoate

Systemtic Name: ethyl 2-[2-methoxyethanoyl(octyl)amino]-5-nitro-benzoate Openeye Name: ethyl 2-[(2-methoxyacetyl)-octyl-amino]-5-nitro-benzoate CAS Name: 2-[(2-methoxy-1-oxoethyl)-octylamino]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxyacetyl)-octylamino]-5-nitrobenzoate Traditional Name: 2-[(2-methoxyacetyl)-octyl-amino]-5-nitro-benzoic acid ethyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC

Isomeric SMILES

CCCCCCCCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC

InChI

InChI=1S/C20H30N2O6/c1-4-6-7-8-9-10-13-21(19(23)15-27-3)18-12-11-16(22(25)26)14-17(18)20(24)28-5-2/h11-12,14H,4-10,13,15H2,1-3H3