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

Systemtic Name: 2-(butan-2-ylamino)-5-nitro-benzoic acid Openeye Name: 5-nitro-2-(sec-butylamino)benzoic acid CAS Name: 2-(butan-2-ylamino)-5-nitrobenzoic acid IUPAC Name: 2-(butan-2-ylamino)-5-nitrobenzoic acid Traditional Name: 5-nitro-2-(sec-butylamino)benzoic acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-3-7(2)12-10-5-4-8(13(16)17)6-9(10)11(14)15/h4-7,12H,3H2,1-2H3,(H,14,15)