methyl 3-[[(2S)-2-ethylhexyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(2S)-2-ethylhexyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(2S)-2-ethylhexyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(2S)-2-ethylhexyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-ethylhexyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(2S)-2-ethylhexyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H24N2O5/c1-4-6-7-12(5-2)11-18-16(20)13-8-14(17(21)24-3)10-15(9-13)19(22)23/h8-10,12H,4-7,11H2,1-3H3,(H,18,20)/t12-/m0/s1