[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidenepentanoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)C

InChI

InChI=1S/C14H16N2O6/c1-9(17)7-8-13(18)22-10(2)14(19)15-11-5-3-4-6-12(11)16(20)21/h3-6,10H,7-8H2,1-2H3,(H,15,19)/t10-/m0/s1