5-nitro-2-[propan-2-yl(propyl)amino]benzoic acid

Systemtic Name: 5-nitro-2-[propan-2-yl(propyl)amino]benzoic acid Openeye Name: 2-[isopropyl(propyl)amino]-5-nitro-benzoic acid CAS Name: 5-nitro-2-[propan-2-yl(propyl)amino]benzoic acid IUPAC Name: 5-nitro-2-[propan-2-yl(propyl)amino]benzoic acid Traditional Name: 2-[isopropyl(propyl)amino]-5-nitro-benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-4-7-14(9(2)3)12-6-5-10(15(18)19)8-11(12)13(16)17/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)