[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(2-chloro-5-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O6/c1-10(2)16(18(25)28-9-15(23)14-4-3-7-20-14)21-17(24)12-8-11(22(26)27)5-6-13(12)19/h3-8,10,16,20H,9H2,1-2H3,(H,21,24)/t16-/m0/s1