2,4-bis(chloranyl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2,4-dichloro-5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2,4-dichloro-5-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid Formula: C18H15Cl2N3O5 MolecularWeight: 424.2348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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