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

Systemtic Name: 2-chloranyl-4-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2-chloro-4-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5/c19-15-9-11(3-5-13(15)18(24)25)20-17(23)14-10-12(22(26)27)4-6-16(14)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,23)(H,24,25)