4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c21-15(22)10-3-5-11(6-4-10)18-13-12(20(23)24)14(17-9-16-13)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,21,22)(H,16,17,18)