2-[butyl(methyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[butyl(methyl)amino]-5-nitro-benzoic acid Openeye Name: 2-[butyl(methyl)amino]-5-nitro-benzoic acid CAS Name: 2-[butyl(methyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[butyl(methyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[butyl(methyl)amino]-5-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-3-4-7-13(2)11-6-5-9(14(17)18)8-10(11)12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)