(4-nitrophenyl)methyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C19H18ClN3O7 MolecularWeight: 435.81512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN3O7/c1-11(2)17(19(25)30-10-12-3-5-13(6-4-12)22(26)27)21-18(24)15-8-7-14(23(28)29)9-16(15)20/h3-9,11,17H,10H2,1-2H3,(H,21,24)/t17-/m0/s1