4-[[[4-chloranyl-2-(hydroxymethyl)phenyl]amino]methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[[4-chloranyl-2-(hydroxymethyl)phenyl]amino]methyl]-3-nitro-benzoic acid Openeye Name: 4-[[4-chloro-2-(hydroxymethyl)anilino]methyl]-3-nitro-benzoic acid CAS Name: 4-[[4-chloro-2-(hydroxymethyl)anilino]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[[4-chloro-2-(hydroxymethyl)anilino]methyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-chloro-2-methylol-anilino)methyl]-3-nitro-benzoic acid Formula: C15H13ClN2O5 MolecularWeight: 336.72712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CNC2=C(C=C(C=C2)Cl)CO

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CNC2=C(C=C(C=C2)Cl)CO

InChI

InChI=1S/C15H13ClN2O5/c16-12-3-4-13(11(5-12)8-19)17-7-10-2-1-9(15(20)21)6-14(10)18(22)23/h1-6,17,19H,7-8H2,(H,20,21)