4-[(2-methyl-2-nitro-propyl)amino]benzoic acid

Systemtic Name: 4-[(2-methyl-2-nitro-propyl)amino]benzoic acid Openeye Name: 4-[(2-methyl-2-nitro-propyl)amino]benzoic acid CAS Name: 4-[(2-methyl-2-nitropropyl)amino]benzoic acid IUPAC Name: 4-[(2-methyl-2-nitropropyl)amino]benzoic acid Traditional Name: 4-[(2-methyl-2-nitro-propyl)amino]benzoic acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-11(2,13(16)17)7-12-9-5-3-8(4-6-9)10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)