2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(3,5-dinitro-4-piperidino-benzoyl)amino]-3-methyl-butyric acid Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O7/c1-10(2)14(17(23)24)18-16(22)11-8-12(20(25)26)15(13(9-11)21(27)28)19-6-4-3-5-7-19/h8-10,14H,3-7H2,1-2H3,(H,18,22)(H,23,24)