3-methylbutyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 3-methylbutyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: isopentyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid isoamyl ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)CNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN2O5/c1-9(2)5-6-22-13(18)8-16-14(19)10-3-4-11(15)12(7-10)17(20)21/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,19)