ethyl 2-(2-decoxyethanoylamino)-4-nitro-benzoate

Systemtic Name: ethyl 2-(2-decoxyethanoylamino)-4-nitro-benzoate Openeye Name: ethyl 2-[(2-decoxyacetyl)amino]-4-nitro-benzoate CAS Name: 2-[(2-decoxy-1-oxoethyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-decoxyacetyl)amino]-4-nitrobenzoate Traditional Name: 2-[(2-decoxyacetyl)amino]-4-nitro-benzoic acid ethyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H32N2O6/c1-3-5-6-7-8-9-10-11-14-28-16-20(24)22-19-15-17(23(26)27)12-13-18(19)21(25)29-4-2/h12-13,15H,3-11,14,16H2,1-2H3,(H,22,24)