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

Systemtic Name: 2-ethoxyethyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-ethoxyethyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid 2-ethoxyethyl ester Formula: C16H21ClN2O6 MolecularWeight: 372.80074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O6/c1-4-24-7-8-25-16(21)14(10(2)3)18-15(20)11-5-6-12(17)13(9-11)19(22)23/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,18,20)/t14-/m0/s1