4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(2-methoxyethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N5O5/c1-24-7-6-15-12-11(19(22)23)13(17-8-16-12)18-10-4-2-9(3-5-10)14(20)21/h2-5,8H,6-7H2,1H3,(H,20,21)(H2,15,16,17,18)