2-nitro-5-(pentan-2-ylamino)benzoic acid

Systemtic Name: 2-nitro-5-(pentan-2-ylamino)benzoic acid Openeye Name: 5-(1-methylbutylamino)-2-nitro-benzoic acid CAS Name: 2-nitro-5-(pentan-2-ylamino)benzoic acid IUPAC Name: 2-nitro-5-(pentan-2-ylamino)benzoic acid Traditional Name: 5-(1-methylbutylamino)-2-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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