5-nitro-2-[(2-propylphenyl)amino]benzoic acid

Systemtic Name: 5-nitro-2-[(2-propylphenyl)amino]benzoic acid Openeye Name: 5-nitro-2-(2-propylanilino)benzoic acid CAS Name: 5-nitro-2-(2-propylanilino)benzoic acid IUPAC Name: 5-nitro-2-(2-propylanilino)benzoic acid Traditional Name: 5-nitro-2-(2-propylanilino)benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O4/c1-2-5-11-6-3-4-7-14(11)17-15-9-8-12(18(21)22)10-13(15)16(19)20/h3-4,6-10,17H,2,5H2,1H3,(H,19,20)