3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: 3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoate Formula: C18H16N3O5- MolecularWeight: 354.33674

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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=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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