4-[[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-ethoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(3-ethoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-carbethoxypiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6/c1-2-30-19(27)13-4-3-9-23(10-13)17-15(24(28)29)16(20-11-21-17)22-14-7-5-12(6-8-14)18(25)26/h5-8,11,13H,2-4,9-10H2,1H3,(H,25,26)(H,20,21,22)