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quinolin-8-ylmethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

quinolin-8-ylmethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name:quinolin-8-ylmethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate
Openeye Name:8-quinolylmethyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate
CAS Name:(2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid 8-quinolinylmethyl ester
IUPAC Name:quinolin-8-ylmethyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate
Traditional Name:(2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid 8-quinolylmethyl ester
Formula: C22H20ClN3O5
MolecularWeight: 441.8643
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]


Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]


InChI

InChI=1S/C22H20ClN3O5/c1-13(2)19(25-21(27)15-8-9-17(23)18(11-15)26(29)30)22(28)31-12-16-6-3-5-14-7-4-10-24-20(14)16/h3-11,13,19H,12H2,1-2H3,(H,25,27)/t19-/m0/s1


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