ethyl 3-(2-ethylhexanoylamino)-4-nitro-benzoate

Systemtic Name: ethyl 3-(2-ethylhexanoylamino)-4-nitro-benzoate Openeye Name: ethyl 3-(2-ethylhexanoylamino)-4-nitro-benzoate CAS Name: 3-[(2-ethyl-1-oxohexyl)amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-ethylhexanoylamino)-4-nitrobenzoate Traditional Name: 3-(2-ethylhexanoylamino)-4-nitro-benzoic acid ethyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-4-7-8-12(5-2)16(20)18-14-11-13(17(21)24-6-3)9-10-15(14)19(22)23/h9-12H,4-8H2,1-3H3,(H,18,20)