methyl (2S,3S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-valeric acid methyl ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O5/c1-4-8(2)12(14(19)22-3)16-13(18)10-6-5-9(17(20)21)7-11(10)15/h5-8,12H,4H2,1-3H3,(H,16,18)/t8-,12-/m0/s1