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

Systemtic Name: butyl (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: butyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butyric acid butyl ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-4-5-6-26-16(21)14(10(2)3)17-15(20)11-7-12(18(22)23)9-13(8-11)19(24)25/h7-10,14H,4-6H2,1-3H3,(H,17,20)/t14-/m0/s1