2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-3,5-dinitro-benzoic acid CAS Name: 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3,5-dinitrobenzoic acid Traditional Name: 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-3,5-dinitro-benzoic acid Formula: C11H13N3O7 MolecularWeight: 299.23682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(CO)NC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O7/c1-11(2,5-15)12-9-7(10(16)17)3-6(13(18)19)4-8(9)14(20)21/h3-4,12,15H,5H2,1-2H3,(H,16,17)