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

Systemtic Name: ethyl 2-[2-decoxyethanoyl(methyl)amino]-4-nitro-benzoate Openeye Name: ethyl 2-[(2-decoxyacetyl)-methyl-amino]-4-nitro-benzoate CAS Name: 2-[(2-decoxy-1-oxoethyl)-methylamino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-decoxyacetyl)-methylamino]-4-nitrobenzoate Traditional Name: 2-[(2-decoxyacetyl)-methyl-amino]-4-nitro-benzoic acid ethyl ester Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6/c1-4-6-7-8-9-10-11-12-15-29-17-21(25)23(3)20-16-18(24(27)28)13-14-19(20)22(26)30-5-2/h13-14,16H,4-12,15,17H2,1-3H3