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

Systemtic Name: 2-chloranyl-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoic acid CAS Name: 2-chloro-4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(3-nitro-4-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)C(=O)NC3=CC(=C(C=C3)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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