methyl (2R)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C15H19ClN2O6 MolecularWeight: 358.77416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H19ClN2O6/c1-9(2)6-12(15(20)23-3)17-14(19)8-24-13-5-4-10(18(21)22)7-11(13)16/h4-5,7,9,12H,6,8H2,1-3H3,(H,17,19)/t12-/m1/s1