2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoic acid

Systemtic Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoic acid Openeye Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoic acid CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-3-(nitromethyl)benzoic acid IUPAC Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoic acid Traditional Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-(nitromethyl)benzoic acid Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C[N+](=O)[O-])NC(=O)CCC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C[N+](=O)[O-])NC(=O)CCC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H14Cl2N2O5/c18-12-6-4-10(14(19)8-12)5-7-15(22)20-16-11(9-21(25)26)2-1-3-13(16)17(23)24/h1-4,6,8H,5,7,9H2,(H,20,22)(H,23,24)