[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6/c1-13(2)4-5-14(3)21-19(23)12-27-20(24)18-11-10-17(28-18)15-6-8-16(9-7-15)22(25)26/h6-11,13-14H,4-5,12H2,1-3H3,(H,21,23)/t14-/m0/s1