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

Systemtic Name: 2-[methyl(pentan-2-yl)amino]-5-nitro-benzoic acid Openeye Name: 2-[methyl(1-methylbutyl)amino]-5-nitro-benzoic acid CAS Name: 2-[methyl(pentan-2-yl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[methyl(pentan-2-yl)amino]-5-nitrobenzoic acid Traditional Name: 2-[methyl(1-methylbutyl)amino]-5-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-5-9(2)14(3)12-7-6-10(15(18)19)8-11(12)13(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)