4-[[(2S)-butan-2-yl]amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[[(2S)-butan-2-yl]amino]-3,5-dinitro-benzoic acid Openeye Name: 4-[[(1S)-1-methylpropyl]amino]-3,5-dinitro-benzoic acid CAS Name: 4-[[(2S)-butan-2-yl]amino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[[(2S)-butan-2-yl]amino]-3,5-dinitrobenzoic acid Traditional Name: 4-[[(1S)-1-methylpropyl]amino]-3,5-dinitro-benzoic acid Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-3-6(2)12-10-8(13(17)18)4-7(11(15)16)5-9(10)14(19)20/h4-6,12H,3H2,1-2H3,(H,15,16)/t6-/m0/s1