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

Systemtic Name: 4-[[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-methoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-methoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carbomethoxypiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O6/c1-29-18(26)12-6-8-22(9-7-12)16-14(23(27)28)15(19-10-20-16)21-13-4-2-11(3-5-13)17(24)25/h2-5,10,12H,6-9H2,1H3,(H,24,25)(H,19,20,21)