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

Systemtic Name: 4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzoic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c22-16(23)11-4-6-12(7-5-11)19-14-13(21(24)25)15(18-10-17-14)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,22,23)(H,17,18,19)