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

Systemtic Name: butyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: butyl 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid butyl ester IUPAC Name: butyl 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid butyl ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5/c1-4-5-8-24-16(21)14(10(2)3)18-15(20)12-7-6-11(19(22)23)9-13(12)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,20)