2,4-bis(chloranyl)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2,4-dichloro-5-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2,4-dichloro-5-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C18H15Cl2N3O5 MolecularWeight: 424.2348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O5/c19-13-9-14(20)15(8-11(13)18(25)26)21-17(24)12-7-10(23(27)28)3-4-16(12)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,21,24)(H,25,26)