butyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-2,3-dimethyl-butanoate

Systemtic Name: butyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-2,3-dimethyl-butanoate Openeye Name: butyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-2,3-dimethyl-butanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2,3-dimethylbutanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-2,3-dimethylbutanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-2,3-dimethyl-butyric acid butyl ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7/c1-5-6-7-27-16(22)17(4,11(2)3)18-15(21)12-8-13(19(23)24)10-14(9-12)20(25)26/h8-11H,5-7H2,1-4H3,(H,18,21)/t17-/m0/s1