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

Systemtic Name: 4-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C15H15N5O5 MolecularWeight: 345.3101

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O5/c21-15(22)10-1-3-11(4-2-10)18-13-12(20(23)24)14(17-9-16-13)19-5-7-25-8-6-19/h1-4,9H,5-8H2,(H,21,22)(H,16,17,18)