4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoate Formula: C18H16N3O5- MolecularWeight: 354.33674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c22-17(19-14-6-3-12(4-7-14)18(23)24)13-5-8-15(16(11-13)21(25)26)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,19,22)(H,23,24)/p-1