(1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN4O5/c1-13(2)20(25-21(28)14-6-7-17(23)19(9-14)27(30)31)22(29)32-12-15-11-26-8-4-3-5-18(26)16(15)10-24/h3-9,11,13,20H,12H2,1-2H3,(H,25,28)/t20-/m0/s1