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

Systemtic Name: ethyl 2-[2-butoxyethanoyl(methyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-butoxyacetyl)-methyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-butoxy-1-oxoethyl)-methylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-butoxyacetyl)-methylamino]-4-nitrobenzoate Traditional Name: 2-[(2-butoxyacetyl)-methyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-4-6-9-23-11-15(19)17(3)14-10-12(18(21)22)7-8-13(14)16(20)24-5-2/h7-8,10H,4-6,9,11H2,1-3H3